Category: 112-63-0

Cohen, Dora; Koenigsbuch, Mordekhai; Sprecher, Milon published the artcile< Polarographic oxidation of diaminopyrimidines>, Application of C19H34O2, the main research area is polarog oxidation diaminopyrimidines; oxidation diaminopyrimidines polarog; diaminopyrimidines oxidation polarog.

The limiting currents in the anodic oxidation of 2,5-diaminopyrimidine (I) and 4,5-diaminopyrimidine (II) at the rotating Pt microelectrode in the range of concentrations showing a linear dependence of current height on concentration (6 × 10-6 – 2 × 10-4M and 4 × 10-6 – 2 × 10-5M, resp.) were diffusion currents as evidenced by their temperature coefficient (2.4 and 1.6%, resp.), by their increase on increasing the rate of stirring, and by their independence of pH and buffer concentrate The polarographic oxidation of an addnl. 12 polyamino- and aminohydroxypyrimidines was also investigated. For all compounds, a linear dependence of the height of the limiting current on concentration was found up to 2 × 10-4M at pH 6.8.

Israel Journal of Chemistry published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Fernandez, Ariadna; Diaz, Jose Luis; Garcia, Monica; Rodriguez-Escrich, Sergi; Lorente, Adriana; Enrech, Raquel; Dordal, Albert; Portillo-Salido, Enrique; Porras, Monica; Fernandez, Begona; Reinoso, Raquel F.; Vela, Jose Miguel; Almansa, Carmen published the artcile< Piperazinyl Bicyclic Derivatives as Selective Ligands of the α2δ-1 Subunit of Voltage-Gated Calcium Channels>, Related Products of 112-63-0, the main research area is piperazinyl quinazolinone preparation calcium channel.

The synthesis and pharmacol. activities of a new series of piperazinyl quinazolin-4-(3H)-one derivatives I [R1 = H, 5-Br, 6-(4-pyridinyl), 8-Br, etc.; R2 = 2-methoxyethyl, benzyl, 2-furylmethyl, etc.; R3 = H, Me, Pr, n-Bu, etc.; R4 = piperazin-1-yl, (3R,5S)-3,5-dimethylpiperazin-1-yl, (S)-3-methylpiperazin-1-yl, etc.] acting toward the α2δ-1 subunit of voltage-gated calcium channels (Cavα2δ-1) were reported. Different positions of a micromolar HTS hit were explored, and best activities were obtained for compounds I containing a small alkyl group in position 3 of the quinazolin-4-(3H)-one scaffold and a 3-methyl-piperazin-1-yl- or 3,5-dimethyl-piperazin-1-yl-Bu group in position 2. The activity was shown to reside in the R enantiomer of the chain in position 2, and several eutomers reached single digit nanomolar affinities. Final modification of the central scaffold to reduce lipophilicity provided the pyrido[4,3-d]pyrimidin-4(3H)-one II, which showed high selectivity for Cavα2δ-1 vs. Cavα2δ-2, probably linked to its improved analgesic efficacy-safety ratio in mice over pregabalin.

ACS Medicinal Chemistry Letters published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Duan, Yingchao; Qin, Wenping; Suo, Fengzhi; Zhai, Xiaoyu; Guan, Yuanyuan; Wang, Xiaojuan; Zheng, Yichao; Liu, Hongmin published the artcile< Design, synthesis and in vitro evaluation of stilbene derivatives as novel LSD1 inhibitors for AML therapy>, SDS of cas: 112-63-0, the main research area is LS1 inhibitor AML stilbene synthesis; AML; Lysine-specific demethylase 1; Stilbene; Synthesis.

LSD1 is implicated in a number of malignancies and has emerged as an exciting target. As part of our sustained efforts to develop novel reversible LSD1 inhibitors for epigenetic therapy of cancers, in this study, we reported a series of stilbene derivatives and evaluated their LSD1 inhibitory activities, obtaining several compounds as potent LSD1 inhibitors with IC50 values in submicromolar range. Enzyme kinetics studies and SPR assay suggested that compound 8c, the most active LSD1 inhibitor (IC50 = 283 nM), potently inhibited LSD1 in a reversible and FAD competitive manner. Consistent with the kinetics data, mol. docking showed that compound 8c can be well docked into the FAD binding site of LSD1. Flow cytometry anal. showed that compound 8c was capable of up-regulating the expression of the surrogate cellular biomarker CD86 in THP-1 human leukemia cells, suggesting the ability to block LSD1 activity in cells. Compound 8c showed good inhibition against THP-1 and MOLM-13 cells with IC50 values of 5.76 and 8.34 μM, resp. Moreover, compound 8c significantly inhibited colony formation of THP-1 cells dose dependently.

Bioorganic & Medicinal Chemistry published new progress about Acute myeloid leukemia. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kim, Hyunhee; Lim, Ka Young; Park, Jin Woo; Kang, Jeongwan; Won, Jae Kyung; Lee, Kwanghoon; Shim, Yumi; Park, Chul-Kee; Kim, Seung-Ki; Choi, Seung-Hong; Kim, Tae Min; Yun, Hongseok; Park, Sung-Hye published the artcile< Sporadic and Lynch syndrome-associated mismatch repair-deficient brain tumors>, Application In Synthesis of 112-63-0, the main research area is brain tumor sporadic Lynch syndrome mismatch repair.

Mismatch repair-deficient (MMRD) brain tumors are rare among primary brain tumors and can be induced by germline or sporadic mutations. Here, we report 13 MMRD-associated (9 sporadic and 4 Lynch syndrome) primary brain tumors to determine clinicopathol. and mol. characteristics and biol. behavior. Our 13 MMRD brain tumors included glioblastoma (GBM) IDH-wildtype (n = 9) including 1 gliosarcoma, astrocytoma IDH-mutant WHO grade 4 (n = 2), diffuse midline glioma (DMG) H3 K27M-mutant (n = 1), and pleomorphic xanthoastrocytoma (PXA) (n = 1). Next-generation sequencing using a brain tumor-targeted gene panel, microsatellite instability (MSI) testing, Sanger sequencing for germline MMR gene mutation, immunohistochem. of MMR proteins, and clinicopathol. and survival anal. were performed. There were many accompanying mutations, suggesting a high tumor mutational burden (TMB) in 77%, but TMB was absent in one case of GBM, IDH-wildtype, DMG, and PXA, resp. MSH2, MLH1, MSH6, and PMS2 mutations were found in 31%, 31%, 31% and 7% of patients, resp. MSI-high and MSI-low were found in 50% and 8% of these gliomas, resp. and 34% was MSI-stable. All Lynch syndrome-associated GBMs had MSI-high. In addition, 77% (10/13) had histopathol. multinucleated giant cells. The progression-free survival tended to be poorer than the patients with no MMRD gliomas, but the number and follow-up duration of our patients were insufficient to get statistical significance. In the present study, we found that the most common MMRD primary brain tumor was GBM IDH-wildtype. The genetic profile of MMRD GBM was different from that of conventional GBM. MMRD gliomas with TMB and MSI-H may be sensitive to immunotherapy but resistant to temozolomide. Our findings can help develop better treatment options.

Laboratory Investigation published new progress about Allele frequency. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hensel, Hans R. published the artcile< New tricyclic metal complex dyes>, Quality Control of 112-63-0, the main research area is .

Diazotized aromatic amines coupled with β-substituted acroleins yielded the corresponding ArN:NCH(CHO)2 (I) which condensed with o-aminophenols, o-aminonaphthols, and 8-aminoquinolines yielded mono- and dianils, and with carboxylic acid hydrazides the corresponding dihydrazones; these formed tricyclic metal complexes with Cr, Co, Ni, Cu, or Zn. The azo dyes obtained by coupling 2-C10H7NHNHCOR with diazotized o-aminophenols or o-aminobenzoic acids also yielded deeply colored metal complexes, p-ClC6H4NH2 (128 g.) in 2.5 l. H2O and 250 cc. 35% HCl diazotized during 1 hr. at 5° with 70 g. NaNO2 in H2O, treated with 140 g. Et2NCH:CHCHO (II) in 250 cc. H2O, and stirred 1 hr. at 10° and 4 hrs. at room temperature yielded 208 g. p-ClC6H4N: NCH(CHO)2, light yellow prisms, m. 157-9° (AcOH). Similarly were prepared the following I (Ar, appearance, m.p., and % yield given): o-ClC6H4, sulfur-yellow leaflets, 107-9°, 100; 2,5-Cl2C6H3, golden yellow prisms, 201°, 95; 2,4,5-Cl3C6H2, golden yellow prisms, 166°, 85; p-O2NC6H4, dark brown, 204°, 92; m-O2NC6H4, yellow-brown prisms, 199°, 78; 2,4-MeO(O2N)C6H3 (III), brown plates (pleochroic from light to dark yellow), 210-11°, 90; 4,2-Cl(MeO)C6H3, golden yellow prisms (pleochroic from yellow to brown), 195-7°, 97; p-AcNHC6H4, red-brown, 206°, 74; m-AcNHC6H4, red-brown prisms, 260° (decomposition), 35; 2,4,6-Br(O2N)2C6H2, red-brown leaflets, 169-71°, 80; 4,2-Cl(O2N)C6H3, dark yellow prisms, 185-7°, 90; 4,3-Me(O2N)C6H3, brown prisms (pleochroic from yellow to red-brown), 179-82°, 60; p-H2NSO2C6H4, light yellow, above 360°, 88; 4,2,5-H2NSO2(MeO)2C6H2, dark yellow leaflets, 212° (decomposition), 95; 4,2,5-EtSO2(MeO)2C6H2, yellow prisms (pleochroic from light to dark yellow), 247-8°, 95; 2,4-MeO(H2NSO2)C6H3, yellow leaflets, >360°, 95; p-(hexamethyleniminosulfonyl)phenyl, yellow prisms, 173°, 60; p-H2NC6H4SO2C6H4, yellow leaflets, 176-8°, 88; o-HO2CC6H4, light yellow prisms, 228°, 95; 3,5,2-Cl2(HO2C)C6H2, yellow prisms, 170° (decomposition), 65; p-HO2CC6H4, yellow prisms, 260° (decomposition), 74; p-EtO2CC6H4, golden yellow prisms, 156-8°, 97; o-MeO2CC6H4, light yellow prisms, 121-2°, 90; 2,4-HO2C(O2N)C6H3 (IV), dark yellow prisms, 257°(decomposition) (AcOH-HCONMe2), 78: 2,4-HO2C(F3C)C6H3, yellow prisms, 239° (decomposition), 98; p-PhN:NC6H4, yellow-brown prisms, 214° (AcOH-HCONMe2), 98; 5-carboxy-1,3,4-triazol-2-yl, pale yellow prisms, >360°, 80. 4-(Phenylazo)-1-phenylpyrazole (25 g.), m. 126°, obtained by heating equimolar amounts PhN:NCH(CHO)2 (V) and PhNHNH2 in AcOH-EtOH, hydrogenated in 500 cc. dioxane over 20 g. Raney Ni yielded 13 g. 4-amino-1-phenylpyrazole, needles, m. 101° (H2O). 2-Amino-5-(phenylazo)pyrimidine (100 g.), m. 210°, obtained from V with H2NC(:NH)NH2.H2CO3 in 6% NaOEt-EtOH, hydrogenated 4 hrs. at room temperature in 3 l. H2O over 30 g. Raney Ni yielded 52 g. 2,5-diaminopyrimidine, prisms, m. 206° (PrOH). II (63 g.) in 500 cc. dry C6H6 treated dropwise at 15° with 80 g. Br, and stirred 12 hrs. at room temperature yielded 86 g. Et2NCH:CBrCHO, m. 77-8°. V (9 g.) and 19 g. 3,4-H2N(HO)C6H3SO2NH2 (VI) in 200 cc. HCONMe2 treated at 60-70° with 13 g. CuSO4.5H2O in H2O, stirred 1 hr. at 50-70°, diluted with 200 cc. H2O, and cooled yielded 27 g. VII (M = Cu, X = H). p-ClC6H4N:NCH(CHO)2 (11 g.) and 19 g. VI in 300 cc. warm HCONMe2 with 12 g. Ni(OAc)2 in H2O gave 29 g. brown-red VII (M = Ni, X = Cl). III (10 g.) and 7.6 g. 2,5-H2N(O2N)C6H3OH in 500 cc. HCONMe2 treated at 50° with 12 g. crystalline CrCl3, heated 10 hrs. at 120-30°, and diluted with H2O yielded 17 g. black VIII.H2O (M = Cr, Y = O), green in HCONMe2 and (HOCH2CH2)2O. IV (11 g.) and 7.7 g. VI in 250 cc. HCONMe2 with 10 g. CuSO4.5H2O in H2O gave, during 0.5 hr. at 100° 18 g. VIII (M = Cu, Y = COO), brown-red precipitate 2,4-Cl2C6H3N:-NCH(CHO)2 (5.0 g.) and 5.7 g. 8-aminoquinoline in 150 cc. HCONMe2 treated at 60° with 5 g. CuSO4 in H2O and heated 1 hr. at 60-80° yielded 10 g. IX (Ar = 2,4-Cl2C6H3, X = HSO4), metallic prisms; orange-red in HCONMe2. p-ClC6H4N:NCH(CHO)2 (11 g.) and 16 g. 8-aminoquinaldine in 250 cc. HCONMe2 treated at 60-80° with 12 g. Co(OAc)2 in H2O and stirred 2 hrs. on the water bath yielded 22 g. X (Y = Cl). V (9 g.)and 14g. BzNHNH2 in 400 cc. hot PrOH stirred 0.5 hr. at 80° with 13 g. Ni(OAc)2 in H2O yielded 22 g. XI (R = Ph, X = H), deep wine-red prisms (strongly pleochroic from orange to red). p-ClC6H4N:NCH(CHO)2 (10.5 g.), 14 g. isonicotinic hydrazide, and 13 g. Ni(OAc)2 in 500 cc. 80% PrOH yielded 20 g. XI (R = 4-pyridyl, X = Cl), brown-red leaflets (strongly pleochroic from orange to red). 2,6-HOC10H6SO2NH2 (2 moles), 380 g. Na2S2O5, and 3 l. 25% NH4OH heated 8 hrs. in an autoclave at 150°, the resulting 2,6-H2NC10H6SO2NH2 (444 g.) dissolved in 3.5 l. hot H2O and 400 cc. HCl, filtered, treated with 1500 g. NaCl and 380 cc. HCl, diazotized at 10° with 640 cc. 23% aqueous NaNO2, added to 1400 g. crystalline SnCl2 in 5 l. H2O, and stirried overnight yielded 492 g. 2,6-H2NNHC10H6SO2NH2.HCl (XII), m. 224°. XII heated 2 hrs. in excess HCONH2 at 100-10° yielded the N’-CHO derivative, m. 260°. Similarly was prepared with AcNH2 the N’-Ac derivative, decompose from 170°. 2,5-H2N(O2N)C6H3CO2H (XIII) (83 g.) in 2 l. H2O and 20 g. NaOH added simultaneously with 150 cc. 23% aqueous NaNO2 to 2 l. iced H2O and 180 cc. HCl, stirred 4 hrs. at 5°, filtered, treated during 1 hr. with 110 g. 2-C10H7NHNHAc (XIV) in 1 l. HCONMe2, and stirred 4 hrs. at 10° yielded 196 g. dark red 1,2-[2,4-O2N(HO2C)C6H3N:N]C10H6NHNHAc (XV). XV and an equivalent amount CrCl3 in HCONMe2 heated 1 hr. at 130° and buffered with 50% AcONa gave the green XVI.3H2O. XIII (33 g.) diazotized and coupled overnight at room temperature with 70 g. 2,6-AcNHNHC10H6SO2NH2 in 400 cc. HCONMe2 gave 95 g. red 1,2,6-[2,4 – HO2C(O2N)C6H3N:N] (AcNHNH)C10H2SO2NH2. 3,4,6-H2N(HO)(O2N)C6H2SO2Me (23 g.) in 100 cc. AcOH and 50 cc. HCl diazotized and coupled with 25 g. XIV gave 39 g. red 1,2- [2,4,5-HO(O2N)(MeO2S)C6H2N: N] C10H6NHNHAc (XVII). XVII (10 g.) and 10 g. CrCl3 in 150 cc. HCONMe2 and 10 cc. 50% aqueous AcONa heated 0.5 hr. at 120° and diluted with H2O yielded 12 g. green Cr complex dye. 2,6-H2NC10H6SO3H (45 g.) diazotized and reduced with 100 g. crystalline SnCl2 in 50 cc. HCl and 1 l. H2O, and the resulting 2,6-H2NNHC10H6SO3H (100%), dissolved in 160 cc. 5% aqueous NaOH, diluted with H2O to 3 l., treated during 0.5 hr. at 50° with 80 cc. Ac2O and then at 10-15° with diazotized 13 g. 2,5-H2N(O2N)C6H3OH, and kept 1-2 days at 20° yielded 83 g. red 1,2,6-[2,4-HO(O2N)C6H3N:N](AcNHNH)C10H5SO3H.2H2O, which yielded with Cu salts in HCONMe2 a blue, with Zn salts a blue-green, and with Cr salts in (HOCH2CH2)2O a green complex.

Chemische Berichte published new progress about Dyes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pridham, Kevin J.; Shah, Farah; Hutchings, Kasen R.; Sheng, Kevin L.; Guo, Sujuan; Liu, Min; Kanabur, Pratik; Lamouille, Samy; Lewis, Gabrielle; Morales, Marc; Jourdan, Jane; Grek, Christina L.; Ghatnekar, Gautam G.; Varghese, Robin; Kelly, Deborah F.; Gourdie, Robert G.; Sheng, Zhi published the artcile< Connexin 43 confers chemoresistance through activating PI3K>, HPLC of Formula: 112-63-0, the main research area is connexin 43 confer chemoresistance activating PI3K.

Circumventing chemoresistance is crucial for effectively treating cancer including glioblastoma, a lethal brain cancer. The gap junction protein connexin 43 (Cx43) renders glioblastoma resistant to chemotherapy; however, targeting Cx43 is difficult because mechanisms underlying Cx43-mediated chemoresistance remain elusive. Here we report that Cx43, but not other connexins, is highly expressed in a subpopulation of glioblastoma and Cx43 mRNA levels strongly correlate with poor prognosis and chemoresistance in this population, making Cx43 the prime therapeutic target among all connexins. Depleting Cx43 or treating cells with αCT1-a Cx43 peptide inhibitor that sensitizes glioblastoma to the chemotherapy temozolomide-inactivates phosphatidylinositol-3 kinase (PI3K), whereas overexpression of Cx43 activates this signaling. Moreover, αCT1-induced chemo-sensitization is counteracted by a PI3K active mutant. Further research reveals that aCT1 inactivates PI3K without blocking the release of PI3K-activating mols. from membrane channels and that Cx43 selectively binds to the PI3K catalytic subunit β (PIK3CB, also called PI3Kβ or p110β), suggesting that Cx43 activates PIK3CB/p110β independent of its channel functions. To explore the therapeutic potential of simultaneously targeting Cx43 and PIK3CB/p110β, αCT1 is combined with TGX-221 or GSK2636771, two PIK3CB/p110β-selective inhibitors. These two different treatments synergistically inactivate PI3K and sensitize glioblastoma cells to temozolomide in vitro and in vivo. Our study has revealed novel mechanistic insights into Cx43/PI3K-mediated temozolomide resistance in glioblastoma and demonstrated that targeting Cx43 and PIK3CB/p110β together is an effective therapeutic approach for overcoming chemoresistance.

Oncogenesis published new progress about Brain neoplasm. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Fujihira, Yamato; Hirano, Kazuki; Ono, Makoto; Mimura, Hideyuki; Kagawa, Takumi; Sedgwick, Daniel M.; Fustero, Santos; Shibata, Norio published the artcile< Pentafluoroethylation of Carbonyl Compounds by HFC-125 via the Encapsulation of the K Cation with Glymes>, COA of Formula: C19H34O2, the main research area is pentafluoroethylation carbonyl compound HFC 125 encapsulation potassium cation glyme.

A simple protocol to overcome the explosive pentafluoroethylation of carbonyl compounds by HFC-125 is described. The use of potassium (K) bases with triglyme or tetraglyme as a solvent safely yields the pentafluoroethylation products in good to high yields. The exptl. results suggest that an encapsulation of the K cation by glymes as K(glyme)2 inhibits the contact between the K cation and the reactive anionic pentafluoroethyl counterion, preventing their transformation into KF and explosive tetrafluoroethylene (TFE). The generation of sterically demanding [K(G3)2]+ and [K(G4)2]+ is an effective way as an unstable pentafluoroethyl anion reservoir.

Journal of Organic Chemistry published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wu, Yichao; Jiang, Yuanyuan; Zhang, Li; Zhou, Jing; Yu, Yan; Zhou, Yonghong; Kang, Tairan published the artcile< Chemical profiling and antioxidant evaluation of Paeonia lactiflora Pall. ""Zhongjiang"" by HPLC-ESI-MS combined with DPPH assay>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Paeonia lactiflora stem leaf antioxidant DPPH HPLC ESI MS.

Paeonia lactiflora Pall. “”Zhongjiang”” is one of the four major medicinal P. lactiflora plants in China. In this research, a high-performance liquid chromatog. (HPLC)-diode array detector (DAD)-electrospray ionization-mass spectrometry method was established to identify various components in the extracts of P. lactiflora “”Zhongjiang”” (root extract or RE, stem and leaf extract or SLE and flower extract or FE). A total of 40 compounds, including 19 monoterpenoid glycosides, five tannins, 10 phenolic acids and their esters, and six other compounds, were determined or temporarily inferred from RE (35 species), SLE (20 species) and FE (15 species). Antioxidant evaluation indicates among the monomer compounds, catechin, gallic acid and Et gallate showed strong antioxidant activity close to vitamin C, ascorbic acid (Vc). Paeoniflorin, albiflorin, benzoylpaeoniflorin and 6′-O-benzoylalbiflorin had certain antioxidant activities, which were much lower than Vc. Furthermore, 19, 15 and 15 antioxidant-reactive components were screened from RE, SLE and FE by using the 1,1-diphenyl-2- picrylhydrazyl (DPPH)-HPLC test results. Results indicated that the ethanol extracts of P. lactiflora “”Zhongjiang”” had strong antioxidant activity, and the antioxidant active material basis was mainly composed of phenolic acids and gallic acid tannins. The main components of P. lactiflora “”Zhongjiang””, monoterpenoid glycosides, had weak antioxidant capacity. Paeonia lactiflora stems, leaves and flowers were good sources of antioxidants.

Journal of Chromatographic Science published new progress about Antioxidants. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lejeune, R.; Thunus, L. published the artcile< Study on mercaptopyridinecarboxylic acids. Part III. Preparation of esters, ethers and ether-esters of mercaptopyridinecarboxylic acids>, Application of C19H34O2, the main research area is pyridinecarboxylic acid mercapto; mercaptopyridinecarboxylic acid; halopyridine conversion pyridinethiol.

Pyridinecarboxylic acids I (R = halo) were treated with thiourea, KSH, and Na2S-S and the products were converted to the resp. mercapto acids II. Thus, 2-chloro-3-pyridinecarboxylic acid was heated with thiourea, and the product was treated with N2H4 to yield the resp. II. II were etherified by MeI and esterified by MeOH and CH2N2.

Journal de Pharmacie de Belgique published new progress about Esterification. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kuz’min, Victor E.; Muratov, Eugene N.; Artemenko, Anatoly G.; Gorb, Leonid; Qasim, Mohammad; Leszczynski, Jerzy published the artcile< The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study>, Application of C19H34O2, the main research area is toxicity nitroarom HiT QSAR.

The present study applies the Hierarchical Technol. for Quant. Structure-Activity Relationships (HiT QSAR) for (i) evaluation of the influence of the characteristics of 28 nitroarom. compounds (some of which belong to a widely known class of explosives) as to their toxicity; (ii) prediction of toxicity for new nitroarom. derivatives; (iii) anal. of the effects of substituents in nitroarom. compounds on their toxicity in vivo. The 50% LD concentration for rats (LD50) was used to develop the QSAR models based on simplex representation of mol. structure. The preliminary 1D QSAR results show that even the information on the composition of mols. reveals the main tendencies of changes in toxicity. The statistic characteristics for partial least squares 2D QSAR models are quite satisfactory (R 2 = 0.96-0.98; Q 2 = 0.91-0.93; R 2 test = 0.89-0.92), which allows us to carry out the prediction of activity for 41 novel compounds designed by the application of new combinations of substituents represented in the training set. The comprehensive anal. of toxicity changes as a function of substituent position and nature was carried out. Mol. fragments that promote and interfere with toxicity were defined on the basis of the obtained models. It was shown that the mutual influence of substituents in the benzene ring plays a crucial role regarding toxicity. The influence of different substituents on toxicity can be mediated via different C-H fragments of the aromatic ring.

Journal of Computer-Aided Molecular Design published new progress about Aromatic nitro compounds Role: ADV (Adverse Effect, Including Toxicity), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics