Category: 112-63-0

Shibata, Norio; Ishimaru, Takehisa; Nakamura, Mai; Toru, Takeshi published the artcile< 20-Deoxy-20-fluorocamptothecin: Design and synthesis of camptothecin isostere>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is fluorocamptothecin asym synthesis stereoselective fluorination Cinchona alkaloid catalyst; stereoselective electrophilic fluorination deoxycamptothecin Cinchona alkaloid catalyst.

(±)-20-Deoxy-20-fluorocamptothecin (I) was synthesized as an isosteric analog of camptothecin. The use of Selectfluor or N-fluorobenzenesulfonimide and Cinchona alkaloid catalysts for the electrophilic fluorination of (±)-20-deoxycamptothecin (II) yields the target compound Enantioselective fluorination of II was also achieved using previously described Cinchona alkaloids/Selectfluor combination to provide both enantiomers of I with 88% ee and 81% ee, resp.

Synlett published new progress about Cinchona alkaloids Role: CAT (Catalyst Use), USES (Uses). 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

Olivato, Paulo R.; Gomes, Roberto da Silva; Rodrigues, Alessandro; Reis, Adriana K. C. A.; Domingues, Nelson L. C.; Rittner, Roberto; Dal Colle, Maurizio published the artcile< Conformational preferences for some 2-substituted N-methoxy-N-methylacetamides through spectroscopic and theoretical studies>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is conformer substituted methoxymethylacetamide stabilization IR DFT B3LYP NBO.

The anal. of the IR carbonyl band of the 2-substituted N-methoxy-N-methylacetamides Y-CH2C(O)N(OMe)Me (Y = F for compound 1, OMe for compound 2, OPh for compound 3, Cl for compound 4), supported by B3LYP/6-311++G(3df, 3pd) calculations along with the NBO anal. for compounds 1-4, indicated the existence of cis-gauche conformers i.e. (c) and (g) for 1 and 3, (c1, c2) and (g1, g2) for 2, and (c) and (g1, g2) for 4. In the gas phase, the g conformer population prevails over the c one, for 1 and 3, the (c1 + c2) population prevails over the (g1 + g2) one for 2, and the (g1 + g2) conformer population is more abundant than (c) one for 4. In n-hexane solution, the cis conformer is more abundant for 1-3. The occurrence of Fermi resonance in the ν CO region, in n-hexane, precludes the estimative of relative populations of the (c, g1, g2) conformers for 4. The SCI-PCM calculations agree with the solvent effect on the ν CO band component relative intensities for 1-3. NBO anal. showed that the nN → πCO* orbital interaction is the main factor which stabilizes the gauche (g, g1, g2) conformers for 1-4 into a larger extent relative to the cis (c, c1, c2) ones. The nY → πCO*, σC-Y → πCO*, πCO → σC-Y* and πCO* → σC-Y* orbital interactions still contribute, but into a minor extent for the stabilization of the gauche conformers relative to the cis ones. The existence of some pyramidalization at the nitrogen atom of the Weinreb amides 1-4 is responsible for the occurrence of Yδ-(4)···Oδ-(9) and Yδ-(4)···Nδ-(7) short contacts in the gauche (g, g1, g2) conformers, which originates strong repulsive Coulombic interactions, acting in opposition to the large orbital stabilization of the gauche conformer with respect to the cis one. Therefore, a delicate balance of the Coulombic and orbital interactions seems to be responsible for the observed stabilization of the gauche (g, g1, g2) and cis (c, c1, c2) conformers, both in the gas phase and in the solution for 1-4. However, the cis conformer predominance, in non polar solvents, for the 2-substituted N-methoxy-N-Me acetamides 1-3, bearing in α first raw (fluorine and oxygen) atoms, is in the opposite direction to the gauche conformer preference for the corresponding 2-substituted N,N-dialkyl-acetamides.

Journal of Molecular Structure published new progress about Bond angle, dihedral. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Reeves, W. Preston; King, Rufus M. II published the artcile< A convenient method for bromination of aromatic amines>, SDS of cas: 112-63-0, the main research area is bromination aromatic amine pyridinium hydrobromide perbromide.

Pyridinium hybrobromide perbromide (I) has been used to monobrominate aromatic amines. The monobromo compounds are obtained in good yield and with only small amounts of polybromination products. Thus, aniline was treated with I in THF to give 4-bromoaniline in 84% yield.

Synthetic Communications published new progress about Aromatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Cordoba, Ruben; Tormo, Nelida Salvador; Medarde, Antonio Fernandez; Plumet, Joaquin published the artcile< Antiangiogenic versus cytotoxic activity in analogues of aeroplysinin-1>, HPLC of Formula: 112-63-0, the main research area is angiogenesis inhibitor cytotoxic preparation aeroplysinin analog structure.

A series of analogs of the potentially angiogenic inhibitor aeroplysinin-1 1 were synthesized and their in vitro antiangiogenic and cytotoxic activities evaluated. In the case of epoxy ketone 6 and azlactone 36 the relationship sprouting inhibition assay/cytotoxicity in BAE cells was enhanced by one order and two orders of magnitude, resp., with respect to the reference These results imply more specific antiangiogenic properties for the synthesized derivatives

Bioorganic & Medicinal Chemistry published new progress about Antiangiogenic agents. 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

Ahad, Abdul; Shakeel, Faiyaz; Raish, Mohammad; Ahmad, Ajaz; Bin Jardan, Yousef A.; Al-Jenoobi, Fahad I.; Al-Mohizea, Abdullah M. published the artcile< Thermodynamic Solubility Profile of Temozolomide in Different Commonly Used Pharmaceutical Solvents>, Quality Control of 112-63-0, the main research area is temozolomide polyethylene glycol 400 thermodn solubility temperature; Apelblat and Van’t Hoff models; solubility; solution thermodynamics; temozolomide.

The solubility parameters, and solution thermodn. of temozolomide (TMZ) in 10 frequently used solvents were examined at five different temperatures The maximum mole fraction solubility of TMZ was ascertained in DMSO (1.35 x 10-2), followed by that in polyethylene glycol-400 (3.32 x 10-3) > Transcutol (2.89 x 10-3) > ethylene glycol (1.64 x 10-3) > propylene glycol (1.47 x 10-3) > H2O (7.70 x 10-4) > Et acetate (5.44 x 10-4) > ethanol (1.80 x 10-4) > iso-Pr alc. (1.32 x 10-4) > 1-butanol (1.07 x 10-4) at 323.2 K. An analogous pattern was also observed for the other investigated temperatures The quantitated TMZ solubility values were regressed using Apelblat and Van’t Hoff models and showed overall deviances of 0.96% and 1.33%, resp. Apparent thermodn. anal. indicated endothermic, spontaneous, and entropy-driven dissolution of TMZ in all solvents. TMZ solubility data may help to formulate dosage forms, recrystallize, purify, and extract/sep. TMZ.

Molecules published new progress about Dissolution. 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

Wozniak, Marian; Roszkiewicz, Witold published the artcile< Spectral data of substituted naphthyridines. V. The IR spectra of substituted 1,8-naphthyridines>, Computed Properties of 112-63-0, the main research area is IR naphthyridine derivative.

In general the IR spectra of 1,8-naphthyridines show a ring bending (skeletal) vibration at 690-740-cm-1, three adjacent H absorption at 750-795 and 810-885 cm-1, two adjacent H absorptions at 785-855 cm-1 and isolated H absorptions at 795-810 and 885-920 cm-1.

Zeszyty Naukowe Uniwersytetu Jagiellonskiego, Prace Chemiczne published new progress about IR spectra. 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

Diantina, S.; McGill, C.; Millner, J.; Nadarajan, J.; Pritchard, H. W.; Colville, L.; Clavijo McCormick, A. published the artcile< Seed viability and fatty acid profiles of five orchid species before and after ageing>, Reference of 112-63-0, the main research area is seed viability fatty acid profile orchid species ageing; Epiphytic Dendrobium; fatty acid methyl esters (FAMEs); gas chromatography (GC); seed lipids; seed storage; terrestrial orchids.

Changes in seed lipid composition during ageing are associated with seed viability loss in many plant species. However, due to their small seed size, this has not been previously explored in orchids. We characterized and compared the seed viability and fatty acid profiles of five orchid species before and after ageing: one tropical epiphytic orchid from Indonesia (Dendrobium strebloceras), and four temperate species from New Zealand, D. cunninghamii (epiphytic), and Gastrodia cunninghamii, Pterostylis banksii and Thelymitra nervosa (terrestrial). Seeds were aged under controlled laboratory conditions (3-mo storage at 60% RH and 20°C). Seed viability was tested before and after ageing using tetrazolium chloride staining. Fatty acid Me esters from fresh and aged seeds were extracted through trans-esterification, and then analyzed using gas chromatog.-mass spectrometry. All species had high initial viability (>80%) and experienced significant viability loss after ageing. The saturated, polyunsaturated, monounsaturated and total fatty acid content decreased with ageing in all species, but this reduction was only significant for D. strebloceras, D. cunninghamii and G. cunninghamii. Our results suggest that fatty acid degradation is a typical response to ageing in orchids, albeit with species variation in magnitude, but the link between fatty acid degradation and viability was not elucidated. Pterostylis banksii exemplified this variation; it showed marked viability loss despite not having a significant reduction in its fatty acid content after ageing. More research is required to identify the effect of ageing on fatty acid composition in orchids, and its contribution to seed viability loss.

Plant Biology (Berlin, Germany) published new progress about Aging, plant. 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

Lee, Yujeong; Onishi, Yoshiyuki; McPherson, Lisa; Kietrys, Anna M.; Hebenbrock, Marian; Jun, Yong Woong; Das, Ishani; Adimoolam, Shanthi; Ji, Debin; Mohsen, Michael G.; Ford, James M.; Kool, Eric T. published the artcile< Enhancing Repair of Oxidative DNA Damage with Small-Molecule Activators of MTH1>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is human mutant homolog activator preparation oxidative DNA damage repair.

Here, it is reported that selected tyrosine kinase (TK) inhibitors including nilotinib, employed clin. in the treatment of chronic myeloid leukemia, are activators of the repair enzyme Human MutT Homolog 1 (MTH1). MTH1 cleanses the oxidatively damaged cellular nucleotide pool by hydrolyzing the oxidized nucleotide 8-oxo-2′-deoxyguanosine (8-oxo-dG)TP, which is a highly mutagenic lesion when incorporated into DNA. Structural optimization of analogs of TK inhibitors resulted in compounds such as SU0448, which induces 1000 +/- 100% activation of MTH1 at 10μM and 410 +/- 60% at 5μM. The compounds are found to increase the activity of the endogenous enzyme, and at least one (SU0448) decreases levels of 8-oxo-dG in cellular DNA. The results suggest the possibility of using MTH1 activators to decrease the frequency of mutagenic nucleotides entering DNA, which may be a promising strategy to suppress tumorigenesis in individuals with elevated cancer risks.

ACS Chemical Biology published new progress about DNA base excision repair. 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

Hechter, Oscar; Terada, Shigeyuki; Spitsberg, Vitaly; Nakahara, Tatsuo; Nakagawaga, S. Hase; Flouret, George published the artcile< Neurohypophyseal hormone-responsive renal adenylate cyclase. III. Relationship between affinity and intrinsic activity in neurohypophyseal hormones and structural analogs>, Synthetic Route of 112-63-0, the main research area is neurohyophyseal hormone structure activity; vasopressin receptor adenyl cyclase; oxytocin structure activity; kidney adenyl cyclase vasopressin.

Binding and adenylate cyclase [9012-42-4] activation with neurohypophyseal hormones (NHH) and synthetic analogs were examined in 2 bovine renal medullary membrane preparations The relation between binding affinity of NHH and 10 analogs (as determined by competitive binding studies with 3H-labeled 8-lysine vasopressin (I) [50-57-7] and adenylate cyclase activation) was studied in 1 membrane preparation under identical conditions where hormonal stimulation of cyclase was at steady state and binding was at (or near) equilibrium A linear relation was demonstrated between the neg. logs of peptide concentration required for half-maximal binding and for half-maximal enzyme activation (Ka). Study of adenylate cyclase activation by NHH analogs, with and without a preliminary preincubation, showed that the magnitude of enzyme stimulation achieved (percentage of Vmax relative to I) with certain low affinity analogs was increased when these peptides were assayed without preincubation (in the 0-10-min period) without significant influence on Ka. To maximize the magnitude of adenylate cyclase stimulation achieved with low affinity analogs, the relation between the apparent affinity and intrinsic activity of 30 NHH analogs was studied in a 2nd membrane, where adenylate cyclase was assayed without preincubation. It was found that the apparent affinity of NHH analogs may be decreased ∼5 orders of magnitude with only minimal (20%) reduction in intrinsic activity. With further decrease in affinity to a critical Ka value, there was an abrupt decrease in intrinsic activity so that peptides with Ka ∼ 2 × 10-4M were either weak partial agonists or competitive antagonists. The tripeptide tails of NHH were not necessary for adenylate cyclase activation. No single amino acid in the ring moieties was essential for biol. activity. Receptor-mediated enzyme activation apparently involves the cooperative interaction of multiple elements of the ring with complementary elements of the receptor, with Asn5 and Tyr2 of the peptide ring playing critical roles. Studies of [Nε-acylated Lys8]vasopressin analogs have revealed it is possible to introduce carboxyl functions in the Lys8 side chain with unexpectedly high retention of affinity. Retro-D analogs of [Gly7]deaminooxytocin and deaminotocinamide, with a free NH2 group, were weak partial agonists; N-formylation, resulting in charge removal, led to loss of agonistic activity with development of antagonistic activity. Structural differences between the bovine and porcine renal receptor have previously been established with respect to position 8 of the vasopressin mol. A 2nd species difference, involving the NH2 terminus of the peptide was also found. The NH2 terminus increased binding affinity in the porcine receptor but not in the bovine receptor where deaminopressinamide [35748-54-0] had a higher affinity than pressinamide [27759-18-8], and 1-deaminooxytocin [113-78-0] had a higher affinity than oxytocin [50-56-6].

Journal of Biological Chemistry published new progress about Cell membrane. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Park, Yuna; Maeng, Soohyun; Damdintogtokh, Tuvshinzaya; Oh, Hyejin; Bang, Minji; Bai, Jaewoo; Kim, Myung Kyum published the artcile< Microvirga splendida sp. nov., bacteria isolated from soil>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Microvirga splendida bacteria soil; Methylobacteriaceae; Microvirga; Novel species; Taxonomy.

Two bacterial strains, BT325T and BT690, were isolated from soil samples collected in Korea. Both strains were Gram stain-neg., short rod-shaped, and formed light-pink colored colonies. The 16S rRNA sequence similarity of strains BT325T and BT690 shared a sequence similarity of 99.7%. Both strains shared the highest 16S rRNA gene similarity of 98.6% with Microvirga arabica SV2184PT, followed by Microvirga ossetica V5/3 M T (98.5% and 98.2%, resp.), Microvirga soli R491T (98.3% and 98.2%, resp.), Microvirga aerilata (98.2% and 98.08%, resp.), Microvirga makkahensis (98.08% and 97.8%, resp.). Phylogenetic analyses based on 16S rRNA gene sequences revealed that strain BT325Tand BT690 were positioned in a distinct lineage within the family Methylobacteriaceae (order Rhizobiales, class Alphaproteobacteria). The genome size of strain BT325T was 5,200,315 bp and the genomic DNA G + C content was 64.3 mol%. The sole respiratory quinone of strain BT325T was Q-10 and the predominant cellular fatty acids were summed feature 3 (C16:1ω7c/C16:1ω6c) and summed feature 8 (C18:1ω7c/C18:1ω6c). The major polar lipids were diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine, and phosphatidylcholine. Polyphasic taxonomic anal. of biochem., chemotaxonomic, and phylogenetic analyses suggested that strains BT325T represents a novel bacterial species within the genus Microvirga, for which the name Microvirga splendida is proposed. The type strain of Microvirga splendida is BT325T (= KCTC 72406 T = NBRC 114847 T).

Antonie van Leeuwenhoek published new progress about 16S rRNA Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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