Category: 112-63-0

Demiray, Hatice; Estep, Alden S.; Tabanca, Nurhayat; Becnel, James J.; Demirci, Betul published the artcile< Chemical constituents from Rheum ribes shoots and its insecticidal activity against Aedes aegypti>, Category: esters-buliding-blocks, the main research area is methyl linoleate insecticidal Rheum Aedes.

A phytochem. investigation of hexane extract of Rheum ribes L., Polygonaceae, shoots was analyzed by gas chromatog. with flame ionization dection and mass specrometry and revealed seven components including Me hexadecanoate (Me palmitate) (2.4%), (Z)-9-Me octadecenoate (Me oleate) (2.9%), (Z,Z,Z)-9,12,15-Me octadecatrienoate (Me linolenate) (3.5%), 1-octadecanol (4.3%), (Z,Z)-9,12-Me octadecadienoate (Me linoleate) (5.7%), heptacosane (13.5%), and hexadecanoic acid (palmitic acid) (67.7%). The hexane extract was bioassayed for larvicidal and adult topical activity against an insecticide susceptible strain of Aedes aegypti, the yellow fever mosquito. Results demonstrated a 90% mortality against adults at 5μg/mosquito and first instar larvae at 1μg/μl. The major compound hexadecanoic acid showed 20% mortality at 6.25 ppm against adults whereas the compound provided 100% mortality at the highest screening dose of 1000 ppm against 1st instar larvae. The mosquitocidal activity of the analyzed plant material may be related to a specific combination of compounds present in the hexane extract Graphical abstract

Revista Brasileira de Farmacognosia published new progress about Aedes aegypti. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Sherin, D. R.; Manojkumar, T. K. published the artcile< Exploring the selectivity of guanine scaffold in anticancer drug development by computational repurposing approach>, Computed Properties of 112-63-0, the main research area is exploring selectivity guanine scaffold anticancer drug development computational repurposing.

Drug repurposing is one of the modern techniques used in the drug discovery to find out the new targets for existing drugs. Insilico methods have a major role in this approach. We used 60 FDA approved antiviral drugs reported in the last 50 years to screen against different cancer cell receptors. The thirteen compounds selected after virtual screening are analyzed for their druggability based on ADMET parameters and found the selectivity of guanine derivatives-didanosine, entecavir, acyclovir, valganciclovir, penciclovir, ganciclovir and valacyclovir as suitable candidates. The pharmacophore model, AARR, suggested based on the common feature alignment, shows that the two fused rings as in guanine and two acceptors-one from keto-oxygen (A5) and other from the substituent attached to nitrogen of imidazole ring (A4) give the druggability to the guanine derivatives The NBO anal. on N9 is indicative of charge distribution from the ring to substituents, which results in delocalization of neg. character in most of the ligands. The mol. dynamics simulations also pointed out the importance of guanine scaffold, which stabilizes the ligands inside the binding pocket of the receptor. All these results are indicative of the selectivity of guanine scaffold in anticancer drug development, especially as PARP1 inhibitors in breast, ovarian and prostate cancer. As these seven mols. are already approved by FDA, we can safely go for further preclin. trials.

Scientific Reports published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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

Koenig, Wilfried A.; Benecke, Ingrid; Sievers, Susanne published the artcile< New results in the gas chromatographic separation of enantiomers of hydroxy acids and carbohydrates>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is chiral phase enantiomer gas chromatog; hydroxyisopentanoic acid packing gas chromatog; hydroxyoctanoic acid packing gas chromatog; phenylethylamine packing gas chromatog enantiomer; valinephenylethylamide packing gas chromatog enantiomer; amino acid modified polysiloxane packing; amine enantiomer separation gas chromatog; amino acid enantiomer gas chromatog; hydroxy acid enantiomer gas chromatog; carbohydrate enantiomer gas chromatog.

New chiral stationary phases for gas chromatog. separation of the enantiomers of amines, amino alcs., hydroxy acids and carbohydrates are described. Hydroxy acids were separated on stationary phases prepared from S-2-hydroxyisopentanoic acid and S-2-hydroxyoctanoic acid by coupling with S-α-phenylethylamine. For the first time, separation of carbohydrate enantiomers was achieved on a stationary phase obtained by connecting L-valine-S-α-phenylethylamide to the functionalized cyanoethyl side-chains of the polysiloxane XE-60.

Journal of Chromatography published new progress about Amines. 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

Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher published the artcile< General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity>, Reference of 112-63-0, the main research area is Ugi three component coupling cyclodehydration; benzimidazole polycyclic heterocycle preparation skeletal diversity.

An Ugi one-pot three-component four-center reaction was coupled with a subsequent acid mediated cyclodehydration step to furnish a multitude of unique scaffolds having in common an embedded or attached benzimidazole and often a ring system formed through lactamization, e.g. I. Using combinations of tethered Ugi inputs typically via tethered acid-ketone inputs and supporting reagents containing masked internal nucleophiles, such scaffolds were produced in good to excellent yields in an operationally friendly manner.

ACS Combinatorial Science published new progress about Cyclocondensation reaction. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Xie, Hui; Zeng, Lili; Zeng, Shaogao; Lu, Xin; Zhang, Guicheng; Zhao, Xin; Cheng, Na; Tu, Zhengchao; Li, Zhiyuan; Xu, Hongjiang; Yang, Ling; Zhang, Xiquan; Huang, Min; Zhao, Junling; Hu, Wenhui published the artcile< Novel pyrrolopyrimidine analogues as potent dipeptidyl peptidase IV inhibitors based on pharmacokinetic property-driven optimization>, Reference of 112-63-0, the main research area is pyrrolopyrimidine analog peptidase DPPIV inhibitor preparation structure pharmacokinetics antidiabetic.

We previously reported a highly potent DPP-IV inhibitor 6 with low in vivo efficacy. While trying to maintain consistent in vitro and in vivo biol. activity, we initiated a pharmacokinetic property-driven optimization to improve the metabolic stability and permeability of inhibitor 6. A simple scaffold replacement of thienopyrimidine with pyrrolopyrimidine (21a) led to significantly improved metabolic stability (4% vs. 65% remaining). Further modification of the pyrrolopyrimidine scaffold to produce compound 21j resulted in much better oral bioavailability than 6. Importantly, compound 21j exhibits greater in vivo efficacy than does 6 and Alogliptin and is worthy of further development.

European Journal of Medicinal Chemistry published new progress about Antidiabetic agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Kaur, Sukhdeep; Sharma, Priyanka; Bains, Aarti; Chawla, Prince; Sridhar, Kandi; Sharma, Minaxi; Inbaraj, Baskaran Stephen published the artcile< Antimicrobial and Anti-Inflammatory Activity of Low-Energy Assisted Nanohydrogel of Azadirachta indica Oil>, Formula: C19H34O2, the main research area is Azadirachta indica oil nanohydrogel antimicrobial antiinflammatory activity; GC–MS; HPLC; anti-inflammatory; bactericidal; fungicidal; minimum inhibitory concentration; phenolic compounds.

Plant-based bioactive compounds have been utilized to cure diseases caused by pathogenic microorganisms and as a substitute to reduce the side effects of chem. synthesized drugs. Therefore, in the present study, Azadirachta indica oil nanohydrogel was prepared to be utilized as an alternate source of the antimicrobial compound The total phenolic compound in Azadirachta indica oil was quantified by chromatog. anal. and revealed gallic acid (0.0076 ppm), caffeic acid (0.077 ppm), and syringic acid (0.0129 ppm). Gas chromatog.-mass spectrometry anal. of Azadirachta indica oil revealed the presence of bioactive components, namely hexadecenoic acid, heptadecanoic acid, c-linolenic acid, 9-octadecanoic acid (Z)-Me ester, methyl-8-methyl-nonanoate, eicosanoic acid, Me ester, and 8-octadecane3-ethyl-5-(2 ethylbutyl). The nanohydrogel showed droplet size of 104.1 nm and -19.3 mV zeta potential. The nanohydrogel showed potential antimicrobial activity against S. aureus, E. coli, and C. albicans with min. inhibitory, bactericidal, and fungicidal concentrations ranging from 6.25 to 3.125 (μg/mL). The nanohydrogel showed a significantly (p < 0.05) higher (8.40 log CFU/mL) value for Gram-neg. bacteria E. coli compared to Gram-pos. S. aureus (8.34 log CFU/mL), and in the case of pathogenic fungal strain C. albicans, there was a significant (p < 0.05) reduction in log CFU/mL value (7.79-6.94). The nanohydrogel showed 50.23-82.57% inhibition in comparison to standard diclofenac sodium (59.47-92.32%). In conclusion, Azadirachta indica oil nanohydrogel possesses great potential for antimicrobial and anti-inflammatory activities and therefore can be used as an effective agent. Gels published new progress about Anti-inflammatory agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

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

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