Tag: M.W=150-200

Bell, C. Cynitha Wise published the artcileStructural, spectroscopic and O-H···O hydrogen bonding interaction on monomer and dimer form of hydroxy phenoxy acetic acid derivatives by experimental and computational techniques, Synthetic Route of 33697-81-3, the publication is Journal of Molecular Structure (2020), 127471, database is CAplus.

Spectral anal. of com. available cardiovascular drug 4-(hydroxyphenoxy)acetic acid (HPAA) was performed by exptl. and theor. IR, Raman, UV-Vis and NMR techniques. The optimized geometry, wavenumber and intensity of the vibrational bands of a monomer and dimer form of hydroxyphenoxy acetic acid and its related compounds were obtained by the d. functional theory (B3LYP) using 6-311 + G(D,P) basis set to reveal the cardiovascular activity of the compound The most stable conformation of the title compound was carried out by potential energy scan anal. to identify the active sites of the mol. The natural bond orbital anal. was performed to analyze the activity of the compound The HOMO-LUMO and MEP analyses were carried out to identify the active part of the mol. This work was extended to calculate the binding energy and cardiovascular active part of the title compound with suitable protein by Autodock software. The mol. descriptors obtained by the DFT method was used for QSAR model and predicting the cytotoxicity of HPAA. Fingerprint plots and Hirshfeld surfaces were used to locate and analyze the mol. surface and bonding interactions and cardiovascular activity in various methodologies utilized in the establishment of the relative energies. 4-(hydroxyphenoxy)acetic acid was screened for its cardiovascular activity.

Journal of Molecular Structure published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Synthetic Route of 33697-81-3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Simon, Cedric published the artcileMild Niobium-Catalyzed [2 + 2 + 2] Cycloaddition of Sila-triynes: Easy Access to Polysubstituted Benzosilacyclobutenes, Synthetic Route of 14799-94-1, the publication is Organic Letters (2015), 17(4), 844-847, database is CAplus and MEDLINE.

A new and efficient synthesis of highly sensitive benzosilacyclobutenes has been developed. For the first time, these compounds can be synthesized in very high yields by a mild, unprecedented intramol. niobium-catalyzed [2 + 2 + 2] cycloaddition of easily accessible tetrasubstituted sila-triynes. An easy access to highly functionalized benzosilacyclobutenes enlarging the number of potential applications in organic and material chem. is described.

Organic Letters published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C9H4F6O, Synthetic Route of 14799-94-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Ansideri, Francesco published the artcileA diverse and versatile regiospecific synthesis of tetrasubstituted alkylsulfanylimidazoles as p38α mitogen-activated protein kinase inhibitors, Safety of 2-Chloroisonicotinic acid, the publication is Molecules (2018), 23(1), 221/1-221/19, database is CAplus and MEDLINE.

An alternative strategy for the synthesis of 1-aryl- and 1-alkyl-2-methylsulfanyl-4-(4-fluorophenyl)-5-(pyridin-4-yl)imidazoles as potential p38α mitogen-activated protein kinase inhibitors is reported. The regioselective N-substitution of the imidazole ring was achieved by treatment of α-aminoketones with different aryl or alkyl isothiocyanates. In contrast to previously published synthesis routes starting from 2-amino-4-methylpyridine, the presented route is characterized by a higher flexibility and a lower number of steps. This strategy was also applied to access 1-alkyl-2-methylsulfanyl-5-(4-fluorophenyl)-4-(pyridin-4-yl)imidazoles in six steps starting from 2-chloro-4-methylpyridine.

Molecules published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Safety of 2-Chloroisonicotinic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Benbow, John W. published the artcilePiperidinyl-2-phenethylamino inhibitors of DPP-IV for the treatment of Type 2 diabetes, SDS of cas: 243139-71-1, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(8), 2220-2223, database is CAplus and MEDLINE.

A highly ligand efficient lead mol. was rapidly developed into a DPP-IV selective candidate series using focused small library synthesis. A significant hurdle for series advancement was genetic safety since some agents in this series impaired chromosome division that was detected using the in vitro micronucleus assay. A recently developed high-throughput imaging-based in vitro micronucleus assay enabled the identification of chem. space with a low probability of micronucleus activity. Advanced profiling of a subset within this space identified a compound with a clean safety profile, an acceptable human DPP-IV inhibition profile based on the rat PK/PD model and a projected human dose that was suitable for clin. development.

Bioorganic & Medicinal Chemistry Letters published new progress about 243139-71-1. 243139-71-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 2,4,5-Trifluorobenzyl chloride, and the molecular formula is C7H4ClF3, SDS of cas: 243139-71-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Estrada, Carl D. published the artcileEnantioselective Desymmetrization of 2-Aryl-1,3-propanediols by Direct O-Alkylation with a Rationally Designed Chiral Hemiboronic Acid Catalyst That Mitigates Substrate Conformational Poisoning, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Journal of the American Chemical Society (2021), 143(11), 4162-4167, database is CAplus and MEDLINE.

Enantioselective desymmetrization by direct monofunctionalization of prochiral diols is a powerful strategy to prepare valuable synthetic intermediates in high optical purity. Boron acids can activate diols toward nucleophilic additions; however, the design of stable chiral catalysts remains a challenge and highlights the need to identify new chemotypes for this purpose. Herein, the discovery and optimization of a bench-stable chiral 9-hydroxy-9,10-boroxarophenanthrene catalyst is described and applied in the highly enantioselective desymmetrization of 2-aryl-1,3-diols using benzylic electrophiles under operationally simple, ambient conditions. Nucleophilic activation and discrimination of the enantiotopic hydroxy groups on the diol substrate occurs via a defined chair-like six-membered anionic complex with the hemiboronic heterocycle. The optimal binaphthyl-based catalyst 1g features a large aryloxytrityl group to effectively shield one of the two prochiral hydroxy groups on the diol complex, whereas a strategically placed “methyl blocker” on the boroxarophenanthrene unit mitigates the deleterious effect of a competing conformation of the complexed diol that compromised the overall efficiency of the desymmetrization process. This methodol. affords monoalkylated products in enantiomeric ratios equal or over 95:5 for a wide range of 1,3-propanediols with various 2-aryl/heteroaryl groups.

Journal of the American Chemical Society published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Akgul, Ozlem published the artcileTaurultams incorporating arylsulfonamide: First in vitro inhibition studies of α-, β- and γ-class Carbonic Anhydrases from Vibrio cholerae and Burkholderia pseudomallei, Computed Properties of 620-20-2, the publication is European Journal of Medicinal Chemistry (2021), 113444, database is CAplus and MEDLINE.

A new series of taurultambenzenesulfonamides I and II were prepared and considered for their inhibitory activity in vitro against the Carbonic Anhydrases from Vibrio cholerae (VchCA-α, VchCA-β and VchCA-γ) and Burkholderia pseudomallei (BpsCA-β and BpsCA-γ). Among the compounds tested, derivatives I (R = 4-CF₃, 4-NO₂, F₅) and II (R = H, 4-F, 2,6-F₂) resulted in highly effective VchCAα inhibitors (K_I values spanning within the 6.1-9.6 nM range) and endowed with excellent Selectivity Indexes (SIs; K_I VchCA-α/K_I hCA II) all comprised between 0.04 and 0.09. Potent in vitro inhibitors for the BpsCA-γ were also identified (K_Is of 18.9-19.5 nM). The results here reported may represent the blueprint for the future development of a new generation of CA-based antibiotics integrated with free of resistance mechanisms of action adopted from known drugs.

European Journal of Medicinal Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Computed Properties of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Akgul, Ozlem published the artcileTaurultams incorporating arylsulfonamide: First in vitro inhibition studies of α-, β- and γ-class Carbonic Anhydrases from Vibrio cholerae and Burkholderia pseudomallei, Quality Control of 939-99-1, the publication is European Journal of Medicinal Chemistry (2021), 113444, database is CAplus and MEDLINE.

A new series of taurultambenzenesulfonamides I and II were prepared and considered for their inhibitory activity in vitro against the Carbonic Anhydrases from Vibrio cholerae (VchCA-α, VchCA-β and VchCA-γ) and Burkholderia pseudomallei (BpsCA-β and BpsCA-γ). Among the compounds tested, derivatives I (R = 4-CF₃, 4-NO₂, F₅) and II (R = H, 4-F, 2,6-F₂) resulted in highly effective VchCAα inhibitors (K_I values spanning within the 6.1-9.6 nM range) and endowed with excellent Selectivity Indexes (SIs; K_I VchCA-α/K_I hCA II) all comprised between 0.04 and 0.09. Potent in vitro inhibitors for the BpsCA-γ were also identified (K_Is of 18.9-19.5 nM). The results here reported may represent the blueprint for the future development of a new generation of CA-based antibiotics integrated with free of resistance mechanisms of action adopted from known drugs.

European Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Quality Control of 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Siddiqui, Nadeem published the artcileDesign, synthesis, anticonvulsant evaluation and docking study of 2-[(6-substituted benzo[d]thiazol-2-ylcarbamoyl)methyl]-1-(4-substituted phenyl)isothioureas, Synthetic Route of 3696-23-9, the publication is Bioorganic Chemistry (2017), 230-243, database is CAplus and MEDLINE.

In this paper, we report the synthesis of 2-[(6-substituted benzo[d]thiazol-2-ylcarbamoyl)methyl]-1-(4-substituted phenyl)isothiourea derivatives (4a-y) carrying active pharmacophores essential for anticonvulsant activity. The anticonvulsant activity was evaluated in vivo by maximal electroshock (MES) test and s.c. pentylenetetrazole (scPTZ) test in mice. Most of the compounds showed promising anticonvulsant activity. The most active compounds 4b and 4q were found active in both MES and scPTZ models, without signs of neurotoxicity. Compound 4b showed the moderate change in SGOT and alk. phosphatase level as compared to control. Compounds 4b and 4w were also found to elevate GABA levels in the olfactory lobe, mid brain, medulla oblongata and cerebellum regions of rat brain. In mol. docking study, the title compounds exhibited good binding properties with epilepsy mol. targets such as GABA-A. Structure-activity relationships are also elaborated along with the anal. of lipophilicity. The results suggested that compound 4b is likely to have varied mechanisms of action including voltage-gated ion channel inhibition and modulating GABAergic action.

Bioorganic Chemistry published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C18H17NO8, Synthetic Route of 3696-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Beni, Zohreh Hashemi published the artcilePreparation, characterization and catalytic study of a nano-inorganic composite of CuO/NiO for the regioselective synthesis of 1,4-disubstituted-1,2,3-triazoles in water, Computed Properties of 620-20-2, the publication is Inorganic and Nano-Metal Chemistry, database is CAplus.

In this research, a nano-inorganic composite of CuO/NiO is prepared by co-precipitation method as an efficient recyclable nanocatalyst for the regioselective synthesis of 1,4-disubstituted-1,2,3-triazoles in water. The catalyst was characterized by several techniques such as the field emission SEM (FESEM), energy dispersive spectroscopy (EDS), x-ray diffraction (XRD), transmission electron microscopy (TEM), thermogravimetric anal. (TGA), x-ray fluorescence, inductively coupled plasma at. emission spectroscopy (ICP-OES), and brunauer-emmett-teller (BET) surface area anal. The regioselective synthesis of 1,4-disubstituted-1,2,3-triazoles was carried out from reaction of various benzyl halides or alkyl halides with Ph acetylene and sodium azide in water under reflux condition in high yields. The CuO/NiO nanocatalyst can be simply recovered and reused 6 runs without a significant slight in activity.

Inorganic and Nano-Metal Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Computed Properties of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Rajabi, Mahboobeh published the artcileClick synthesis of 1,4-disubstituted-1,2,3-triazoles catalyzed by melamine-supported CuO nanoparticles as an efficient recyclable catalyst in water, Category: chlorides-buliding-blocks, the publication is Research on Chemical Intermediates (2020), 46(8), 3879-3889, database is CAplus.

Melamine-supported CuO nanoparticles (M-CuO nanocatalyst) are prepared as a new and efficient recyclable nanocatalyst for the regioselective synthesis of 1,2,3-triazoles I (R = Me, Ph, 4-methylphenyl, etc.; R¹ = H, OMe) in water. This new nanocatalyst was prepared by co-precipitation method and characterized by FT-IR spectral study, TGA, DSC, XRF, ICP-OES, XRD, SEM, EDS and BET anal. A wide range of 1,4-disubstituted-1,2,3-triazoles I was synthesized from reaction of benzyl halides or alkyl halides RCH₂Cl with Ph acetylene and sodium azide in high yields. M-CuO nanocatalyst could be reused more than 6 times without considerable loss of its initial activity.

Research on Chemical Intermediates published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics