Month: November 2022

Churcher, Ian published the artcileA new series of potent benzodiazepine γ-secretase inhibitors, Application of 3-(2,6-Dichlorophenyl)propanoic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2003), 13(2), 179-183, database is CAplus and MEDLINE.

A new series of benzodiazepine-containing γ-secretase inhibitors, e.g. I, with potential use in the treatment of Alzheimer’s disease is disclosed. Structure-activity relationships of the pendant hydrocinnamate side-chain which led to the preparation of highly potent inhibitors are described.

Bioorganic & Medicinal Chemistry Letters published new progress about 51656-68-9. 51656-68-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene, name is 3-(2,6-Dichlorophenyl)propanoic acid, and the molecular formula is C9H8Cl2O2, Application of 3-(2,6-Dichlorophenyl)propanoic acid.

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

Sato, Takahiro published the artcileDesign, synthesis, and pharmacological and pharmacokinetic evaluation of 3-phenyl-5-pyridyl-1,2,4-triazole derivatives as xanthine oxidoreductase inhibitors, Related Products of chlorides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(1), 184-187, database is CAplus and MEDLINE.

In an effort to find a potent xanthine oxidoreductase (XO) inhibitor, we discovered the best compound I. Here, we describe the following: (1) the design, synthesis, and structure-activity relationship of a series of 3-phenyl-5-pyridyl-1,2,4-triazole derivatives by in vitro studies of XO inhibitory activity in bovine milk and in vivo studies of serum uric acid (UA) reductive activity in rats, (2) a drug interaction study by a cytochrome P 450 3A4 (CYP3A4) assay, and (3) a pharmacokinetic (PK) study. Compound I exhibits potent XO inhibitory activity, serum UA-lowering activity in rats, weak CYP3A4 inhibitory activity, and moderate PK profile.

Bioorganic & Medicinal Chemistry Letters 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, Related Products of chlorides-buliding-blocks.

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

Sato, Takahiro published the artcileDiscovery of 3-(3-cyano-4-pyridyl)-5-(4-pyridyl)-1,2,4-triazole, FYX-051 – a xanthine oxidoreductase inhibitor for the treatment of hyperuricemia, Product Details of C6H4ClNO2, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(21), 6225-6229, database is CAplus and MEDLINE.

A previous study identified 2-[2-(2-methoxy-ethoxy)-ethoxy]-5-[5-(2-methyl-4-pyridyl)-1H-[1,2,4]triazol-3-yl]-benzonitrile as a safe and potent xanthine oxidoreductase (XOR) inhibitor for the treatment of hyperuricemia. A series of 3,5-dipyridyl-1,2,4-triazole derivatives were synthesized and their in vivo activity in lowering the serum uric acid levels in rats was examined As a result, 3-(3-cyano-4-pyridyl)-5-(4-pyridyl)-1,2,4-triazole (FYX-051) to be one of the most potent XOR inhibitors; it exhibited an extremely potent in vivo activity, weak CYP3A4-inhibitory activity and a better pharmacokinetic profile than the previously identified compound FYX-051 is currently being evaluated in a phase 2 clin. trial.

Bioorganic & Medicinal Chemistry Letters 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, Product Details of C6H4ClNO2.

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

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

Mostajeran, Neda published the artcileSolvent-Free Synthesis and Antibacterial Evaluation of Novel Coumarin Sulfonamides, Formula: C9H5ClO4S, the publication is Pharmaceutical Chemistry Journal (2018), 52(1), 1-7, database is CAplus.

A series of new coumarin-6-sulfonamides have been synthesized as potential antibacterial agents. The reaction of coumarin with chlorosulfonic acid was found to yield the corresponding coumarin sulfonyl chloride. In the next step, coumarin sulfonyl chloride, was reacted with various amines in the presence of K₂CO₃ under solvent-free conditions to produce coumarin sulfonamides I (R = Ph, cyclohexyl, piperazinyl, etc.) in good to excellent yields. All the synthesized compounds have been screened for their in vitro anti-bacterial activities against Escherichia coli and Staphylococcus aureus bacteria.

Pharmaceutical Chemistry Journal published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C9H5ClO4S, Formula: C9H5ClO4S.

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

Nadir, Upender K. published the artcileA facile synthesis of N-arylsulfonylazetidines through the reaction of N-arylsulfonylaziridines with dimethyloxosulfonium methylide and a PTC [phase-transfer catalyst], Product Details of C3H9ClOS, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1993), 32B(2), 297-8, database is CAplus.

N-Arylsulfonylazetidines (I; R¹ = e.g., H, C₆H₄Me-p; R² = alkyl, aryl) can be prepared in 18-55% yield by the reaction of corresponding aziridines (II) with dimethyloxosulfonium methylide in the presence of a PTC (e.g., tetrabutylammonium hydrogen sulfate). Aziridines substituted at positions 2 and 3 failed to react.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 5034-06-0. 5034-06-0 belongs to chlorides-buliding-blocks, auxiliary class Salt,Aliphatic hydrocarbon chain, name is trimethyloxosulphonium chloride, and the molecular formula is C3H9ClOS, Product Details of C3H9ClOS.

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

Markwalder, Jay A. published the artcileSynthesis and Biological Evaluation of 1-Aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one Inhibitors of Cyclin-Dependent Kinases, Application In Synthesis of 1869-22-3, the publication is Journal of Medicinal Chemistry (2004), 47(24), 5894-5911, database is CAplus and MEDLINE.

Using a high-throughput screening strategy, a series of 1-aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-ones I [R¹ = 2-ClC₆H₄, 2-Cl-6-FC₆H₃, 2,4,6-Cl₃C₆H₂, etc.; R² = Et, MeS, F₃C, HOCH₂, etc.; R³ = H, Me, cyclopropyl, MeO₂C, 2-furyl, 3,4-(MeO)₂C₆H₄, PhCH₂, etc.] was identified that inhibit the cyclin-dependent kinase (CDK) 4/cyclin D1 complex-mediated phosphorylation of a protein substrate with IC₅₀s in the low micromolar range. On the basis of preliminary structure-activity relationships (SAR), a model was proposed in which these inhibitors occupy the ATP-binding site of the enzyme, forming critical hydrogen bonds to the same residue (Val96) to which the amino group in ATP is presumed to bind. X-Ray diffraction studies on I [R¹ = 2,4,6-Cl₃C₆H₂; R² = Et; R³ = 3,4-(HO)₂C₆H₃CH₂] bound to CDK2 support this binding mode. Iterative cycles of synthesis and screening lead to a novel series of potent, CDK2-selective 6-(arylmethyl)pyrazolopyrimidinones. Placement of a hydrogen-bond donor in the meta-position on the 6-arylmethyl group resulted in ∼100-fold increases in CDK4 affinity, giving ligands that were equipotent inhibitors of CDK4 and CDK2. These compounds exhibit antiproliferative effects in the NCI HCT116 and other cell lines. The potency of these antiproliferative effects is enhanced in anilide derivatives and translates into tumor growth inhibition in a mouse xenograft model.

Journal of Medicinal Chemistry published new progress about 1869-22-3. 1869-22-3 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Hydrazine,Amine,Benzene, name is 1-(2-Chloro-5-(trifluoromethyl)phenyl)hydrazine, and the molecular formula is C7H6ClF3N2, Application In Synthesis of 1869-22-3.

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

Berry, James P. published the artcileFluoride-induced cleavage of the carbon-phosphorus bond in diethyl trichloromethylphosphonate. Source of dichlorocarbene and dialkyl phosphorofluoridates, COA of Formula: C5H10Cl3O3P, the publication is Journal of Organic Chemistry (1968), 33(4), 1664-5, database is CAplus.

Di-Et trichloromethylphosphonate (I) is heated with KF.2H2O to give CHCl3; I is heated with anhydrous KF to give (EtO)2P(O)F. I is treated with anhydrous KF in cyclohexene and the dichlorocarbene obtained adds to cyclohexene to give 7,7-dichlorobicyclo[4.1.0]heptane (II). I is treated with KF in MeOH to give (EtO)2POMe.

Journal of Organic Chemistry published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, COA of Formula: C5H10Cl3O3P.

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

Schmidt, Stine N. published the artcileLinking algal growth inhibition to chemical activity: Excess toxicity below 0.1% of saturation, Application In Synthesis of 350-30-1, the publication is Chemosphere (2018), 880-886, database is CAplus and MEDLINE.

The first aim was to challenge this chem. activity range for baseline toxicity. Algal growth inhibition data (median effective concentrations, EC₅₀) were compiled from two recent studies and included 108 compounds categorized as non-polar (mode of toxic action, MOA1) and polar (MOA2) narcotics. These data were linked to chem. activity by (1) plotting them relative to a regression for (subcooled) liquid solubility (S_L), which served as visual reference for chem. activity of unity and (2) determining EC₅₀/S_L ratios that essentially equal median effective chem. activity (Ea₅₀). Growth inhibition required chem. activity >0.01 for MOA1 and >0.001 for MOA2 compounds The second aim was to identify compounds exerting excess toxicity, i.e., when growth inhibition occurred at chem. activity <0.001. Of these compounds, 16 are pesticides or precursors. This study includes two methods for translating EC₅₀ values into the chem. activity framework, each having advantages and limitations. Scientifically, this study confirms that baseline toxicity generally requires chem. activities of 0.01-0.1 and extends the application of the chem. activity approach beyond baseline toxicity, by demonstrating its utility to identify compounds that exert excess toxicity.

Chemosphere published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application In Synthesis of 350-30-1.

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

Kareem, Huda S. published the artcileCorrelation of antioxidant activities with theoretical studies for new hydrazone compounds bearing a 3,4,5-trimethoxy benzyl moiety, Safety of 5-Bromo-3-chloro-2-hydroxybenzaldehyde, the publication is European Journal of Medicinal Chemistry (2015), 497-505, database is CAplus and MEDLINE.

A new series of antioxidants, I [R¹ = H, HO; R² = Cl, HO, MeO, t-Bu; R³ = H, HO, MeO; R⁴ = H, Br, MeO, EtO, t-Bu; R⁵ = H, MeO, EtO], namely imines bearing the well-known free radical scavenger group 3,4,5-trimethoxybenzyloxy, was designed and synthesized. Theor. calculations based on d. functional theory (DFT) were performed to understand the antioxidant activities. Exptl. studies evaluating the antioxidant activities of the compounds using DPPH and FRAP assays verified the predictions obtained by DMOL3 based on DFT.1. The DPPH radical scavenging activities depended on the substitution pattern of the aromatic aldehyde, with both the substitution type and position showing significant effects. Compounds I, which contain a phenolic hydroxyl group at the para position to the imine as well as, addnl. electron donating groups at the ortho-position to this hydroxyl group, exhibited IC₅₀ values of 62, 75 and 106 μg/mL, resp., and potent antioxidant activities against DPPH, which were better than that of the reference compound BHT. With the exception of two compounds I with a phenolic hydroxyl group at the ortho position, all of the investigated compounds exhibited ferric reducing activities above 1000 μM. Correlation anal. between the two antioxidant assays revealed moderate pos. correlation (r = 0.59), indicating differing antioxidant activities based on the reaction mechanism. Therefore, imines bearing a 3,4,5-trimethoxybenzyloxy group can be proposed as potential antioxidants for tackling oxidative stress.

European Journal of Medicinal Chemistry published new progress about 19652-33-6. 19652-33-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Phenol,Aldehyde, name is 5-Bromo-3-chloro-2-hydroxybenzaldehyde, and the molecular formula is C7H4BrClO2, Safety of 5-Bromo-3-chloro-2-hydroxybenzaldehyde.

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