Tag: M.W=50-100

Saglam, Ertugrul Gazi published the artcileSyntheses of and structural studies on some square planar dithiophosphonato Ni(II) complexes, octahedral pyridine derivatives thereof and x-ray crystallography, DFT and molecular docking studies of the latter, Formula: C5H12O, the main research area is crystal mol structure DFT dithiophosphonate nickel preparation DNA docking.

Five new dithiophosphonic acids ((p-MeOC6H4)PS(SH)(OR), HLn, (n = 1-5); R = 3-pentyl-, HL1; R = 1-phenyl-1-propyl-, HL2; R = 4-tert-Bu benzyl-, HL3; R = diphenylmethyl-, HL4; R = 4-tert-butylcyclohexyl-, HL5) were prepared by the reaction of Lawesson reagent with the corresponding alcs. As the acids were viscous liquids and difficult to purify they were converted to their ammonium salts ([NH4Ln]) for purification through crystallization Four coordinated Ni(II) complexes of the dithiophosphonates ([Ni(Ln)2]) were synthesized in MeOH medium and purified. The reaction between these square planar complexes and pyridine was carried out to produce six coordinated pyridine derivatives ([Ni(Ln)2(py)2]). The structures of the fifteen compounds so prepared were elucidated by spectroscopy, elemental anal. methods and magnetic susceptibility measurement. The mol. and crystal structure of [Ni(L2)2(py)2] was determined by x-ray crystallog. DFT calculations were carried out using the B3LYP functional with the LANL2DZ basis set to calculate the optimized geometrical structure and determine the energies, the orientations of the MOs (HOMOs and LUMOs) and the mol. electrostatic potential (MEP) surfaces of the octahedral complex [Ni(L2)2(py)2]. The results for [Ni(L2)2(py)2] revealed that it bonded to the active sites of A-DNA and B-DNA by weak noncovalent interactions, which was also supported by mol. docking studies.

Journal of Molecular Structure published new progress about Binding energy. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Formula: C5H12O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Losada-Perez, Patricia published the artcileAsymmetric liquid-liquid criticality in the ideal volumetric mixing approximation, Product Details of C5H12O, the main research area is nitromethane pentanol liquid criticality volumetric mixing.

We address the question on the validity of the ideal volumetric mixing approximation, a customarily used approach to analyze liquid-liquid phase transitions. Thus, liquid-liquid coexistence curves for the binary mixture composed by nitromethane and 3-pentanol were obtained from direct single-phase mass d. measurements as a function of temperature A reasonable agreement with previously reported data obtained from refractive index measurements has been found, indicating that assuming ideal mixing is rather reasonable. Furthermore, the implications of the ideal volumetric mixing approximation on asym. liquid-liquid criticality are explored in the framework of complete scaling formulation, with emphasis on the coexistence curves in the mole fraction-temperature and volume fraction-temperature planes as well as on the behavior of the isobaric heat capacity per particle and per unit volume and the associated Yang-Yang-type anomalies.

Journal of Chemical Thermodynamics published new progress about Binary mixtures. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Product Details of C5H12O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Xiao published the artcileCharacterization of free and glycosidically bound volatile compounds from tamarillo (Solanum betaceum Cav.) with considerations on hydrolysis strategies and incubation time, Recommanded Product: 3-Pentanol, the main research area is Solanum enzyme hydrolysis glycoside volatile compound prenol.

Two different hydrolysis strategies, namely acid hydrolysis (pH 0 and 3) and enzyme hydrolysis (Rapidase AR2000, β-glucosidase, 5.6 nkat/mg), and the effect of hydrolysis time on the liberation of glycosidically bound volatiles from tamarillo (Solanum beaceum Cav.), were evaluated. Free and bound volatile profiles in tamarillo were also compared. Enzymic hydrolysis was favored for the liberation of aldehydes, esters, and terpenes. Harsh acidic hydrolysis (pH 0) was particularly effective at releasing C13-norisoprenoids including 3-hydroxy-β-damascone and 1,1,6-trimethyl-1,2-dihydronaphthalene (TDN), but those compounds cannot contribute to the pleasant odor. Moreover, the longer the duration of enzymic hydrolysis, the higher was the concentration of alcs., terpenes, benzenoids, ketones, and volatile phenols. On the other hand, 33 free and 49 bound volatiles were identified in tamarillo with a complementary profile: the major free volatiles were alcs. ((Z)-3-hexenol, 1-hexanol) and esters (Me caproate, Me butanoate and Et butanoate), while bound volatile compounds showed higher concentrations of benzenoids (benzyl alc. and phenylethyl alc.) and terpenes, including prenol, linalool and α-terpineol. Many glycosidically bound volatiles are available as aroma reservoirs in tamarillo, and to liberate these compounds during tamarillo-based product development, attention should be given to hydrolysis strategies and incubation time.

LWT–Food Science and Technology published new progress about Acid hydrolysis. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Recommanded Product: 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Schlimpen, Fabian published the artcileα-Tertiary Propargylamine Synthesis via KA²-Type Coupling Reactions under Solvent-Free Cu^I-Zeolite Catalysis, Application of 2-Aminobutan-1-ol, the publication is Journal of Organic Chemistry (2021), 86(23), 16593-16613, database is CAplus and MEDLINE.

The potential of copper(I)-zeolite catalysis was evaluated in the three-component KA²-coupling mediated synthesis of α-tertiary propargylamines. Authors’ archetypal copper(I)-doped zeolite CuI-USY proved to be efficient under ligand- and solvent-free conditions at 80°. Usable up to four times, this catalytic material enables the coupling of diverse ketones, alkynes, and amines with a broad functional group tolerance. A decarboxylative and a desilylative version, resp., involving an alkynoic acid and trimethylsilylacetylene as alkyne surrogates, was also set up to bypass selectivity issues and/or to access α-tertiary propargylamines that are unattainable under standard KA² conditions. Interestingly, the KA²-type coupling reactions were successfully linked to other Cu^I-catalyzed reactions, thus resulting in sequential one-pot processes under full Cu^I-USY catalysis.

Journal of Organic Chemistry published new progress about 96-20-8. 96-20-8 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 2-Aminobutan-1-ol, and the molecular formula is C4H11NO, Application of 2-Aminobutan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Borrel, Julien published the artcileCopper-Catalyzed Oxyalkynylation of C-S Bonds in Thiiranes and Thietanes with Hypervalent Iodine Reagents, Recommanded Product: (R)-Oxiran-2-ylmethanol, the publication is Organic Letters (2020), 22(2), 422-427, database is CAplus and MEDLINE.

We report the oxyalkynylation of thiiranes and thietanes using ethynylbenziodoxolone reagents (EBXs) to readily access functionalized building blocks bearing an alkynyl, a benzoate, and an iodide group. The reaction proceeds with high atom efficiency most likely through an alkynyl-episulfonium intermediate. The transformation is copper-catalyzed and compatible with a large array of thiiranes and thietanes.

Organic Letters published new progress about 57044-25-4. 57044-25-4 belongs to alcohols-buliding-blocks, auxiliary class Epoxides,Chiral,Aliphatic hydrocarbon chain,Alcohol, name is (R)-Oxiran-2-ylmethanol, and the molecular formula is C3H6O2, Recommanded Product: (R)-Oxiran-2-ylmethanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Koczurkiewicz-Adamczyk, Paulina published the artcileCinnamic acid derivatives as chemosensitising agents against DOX-treated lung cancer cells – Involvement of carbonyl reductase 1, SDS of cas: 96-20-8, the publication is European Journal of Pharmaceutical Sciences (2020), 105511, database is CAplus and MEDLINE.

Doxorubicin (DOX) therapy is limited by both cancer cells resistance and cardiotoxicity. DOX biotransformation to doxorubicinol (DOXol) by reductases enzymes (mainly by CBR1; carbonyl reductase 1) is a key process responsible for DOX adverse effects development. Thus, inhibition of CBR1 can increase the therapeutic effect of DOX. In the present study, we used a group of new synthesized cinnamic acid (CA) derivatives to improve the effectiveness and safety profile of DOX therapy against cancer cells in vitro. The possible mechanism of CBR1 inhibition was simulated by mol. modeling studies. The kinetics of DOX reduction in the presence of active CA derivatives were measured in cytosols. The chemosensitizing activity of CA derivatives including proapoptotic, anti-invasiveness activity were investigated in A549 lung cancer cell line. In our research 7 from 16 tested CA derivatives binded to the active site of CBR1 enzyme and improved DOX stability by inhibition of DOXol formation. Co-treatment of A549 cells with active CA derivatives and DOX induced cells apoptosis by activation of caspase cascade. At the same time we observed decrease of invasive properties (cell migration and transmigration assays) and the rearangments of F-actin cytoskeleton in CA derivatves + DOX treated cells. Meanwhile, control, human lung fibroblasts stay realtivelly unvulnerable and viable. New synthesized CA derivatives may inhibit the activity of CBR1 leading to the stabilization of DOX therapeutic levels in cancer cells and to protect the myocardium against DOXol cytotoxic effect. Favorable physicochem. properties supported by a safety profile and multidirectional chemosensitizing activity render CA derivatives a promising group for the development of agent useful in combined therapy.

European Journal of Pharmaceutical Sciences published new progress about 96-20-8. 96-20-8 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 2-Aminobutan-1-ol, and the molecular formula is C4H11NO, SDS of cas: 96-20-8.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Cecchi, Patrizio published the artcileGas-phase protonation of spiropentane. A novel entry into the C₅H₉⁺ potential energy surface, Safety of 1-Methylcyclobutan-1-ol, the publication is Journal of the American Chemical Society (1993), 115(22), 10338-47, database is CAplus.

The structures, stabilities, and isomerization patterns of C₅H₉⁺ ions arising from the gas-phase protonation of spiropentane have been investigated by nuclear-decay, radiolytic, and FT-ICR techniques combined with ab initio calculations The exptl. and theor. results are consistent with the initial formation of a corner-protonated spiropentane intermediate 17, whose lifetime in the gas phase exceeds 7 × 10^-9 s. This local C₅H₉⁺ min. is separated from the ca. 30 kcal mol^-1 more stable cyclopentyl cation as well as from dimethylallyl open-chain isomers by significant energy barriers. Persistence of 17 in the gas phase does not find any correspondence in solution Solvation and ion-pairing effects may explain the failure to detect C₅H₉⁺ structures retaining the spirobicyclic framework of spiropentane in the condensed phase.

Journal of the American Chemical Society published new progress about 20117-47-9. 20117-47-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic cyclic hydrocarbon,Alcohol, name is 1-Methylcyclobutan-1-ol, and the molecular formula is C5H10O, Safety of 1-Methylcyclobutan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Scuotto, M. published the artcileOutstanding effects on antithrombin activity of modified TBA diastereomers containing an optically pure acyclic nucleotide analogue, Recommanded Product: (R)-Oxiran-2-ylmethanol, the publication is Organic & Biomolecular Chemistry (2014), 12(28), 5235-5242, database is CAplus and MEDLINE.

Herein, we report optically pure modified acyclic nucleosides as ideal probes for thrombin binding aptamer (TBA) modification. These new monomers offer unique advantages in exploring the role played in thrombin inhibition by a single residue modification at key positions of the TBA structure.

Organic & Biomolecular Chemistry published new progress about 57044-25-4. 57044-25-4 belongs to alcohols-buliding-blocks, auxiliary class Epoxides,Chiral,Aliphatic hydrocarbon chain,Alcohol, name is (R)-Oxiran-2-ylmethanol, and the molecular formula is C16H20N2, Recommanded Product: (R)-Oxiran-2-ylmethanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Frankowski, Kevin J. published the artcileDiscovery and Optimization of Pyrrolopyrimidine Derivatives as Selective Disruptors of the Perinucleolar Compartment, a Marker of Tumor Progression toward Metastasis, Category: alcohols-buliding-blocks, the publication is Journal of Medicinal Chemistry (2022), 65(12), 8303-8331, database is CAplus and MEDLINE.

A high-throughput, high-content assay was developed to identify novel small mols. that selectively reduce PNC prevalence in cancer cells. The pyrrolopyrimidine series able to reduce PNC prevalence in PC3M cancer cells at submicromolar concentrations without affecting cell viability was identified and further optimized. Structure-activity relationship exploration of the structural elements necessary for activity resulted in the discovery of several potent compounds Anal. of in vitro drug-like properties led to the discovery of the bioavailable analog, metarrestin, which has shown potent antimetastatic activity with improved survival in rodent models and is currently being evaluated in a first-in-human phase 1 clin. trial.

Journal of Medicinal Chemistry published new progress about 96-20-8. 96-20-8 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 2-Aminobutan-1-ol, and the molecular formula is C4H11NO, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Manna, Subal Chandra published the artcileStructure and magnetic characterization of tetranuclear closed/double-open cubane core, and 1D polynuclear copper(II) complexes, Name: 2-Aminobutan-1-ol, the publication is Journal of Solid State Chemistry (2019), 378-385, database is CAplus.

Three copper(II) complexes namely [Cu₄(L¹)₄]·0.5(H₂O) (1), [Cu₄(L²)₂(HL²)₂(H₂O)₂](sq)·H₂O (2) and {[Cu₂(L²)₂(tp)]·(H₂O)}_n (3) (H₂L¹ = [(E)-2-((1-hydroxybutan-2-ylimino)methyl)phenol], H₂L² = [(E)-2-((1-hydroxybutan-2-ylimino)methyl)-6-methoxyphenol], sq = squarate and tp = terephthalate ion) were characterized by structure determination and magnetic anal. Both 1 and 2 are tetranuclear Cu₄O₄ species with closed cubane core and double-open cubane like core structure, resp. However, complex 3 is a 1D polymeric chain, where Schiff base chelated dinuclear copper units are linked through terephthalate ions. C-H…π interactions among the 1D polymeric chains form a 2D supramol. architecture. Variable temperature magnetic property study indicates overall antiferromagnetic exchange coupling in all complexes.

Journal of Solid State Chemistry published new progress about 96-20-8. 96-20-8 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 2-Aminobutan-1-ol, and the molecular formula is C4H11NO, Name: 2-Aminobutan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts