Category: chlorides-buliding-blocks

Nazarov, A. P. published the artcileElectron polarizability of molecules of carboxylic acids and their dimers and trimers, Recommanded Product: Pyrene-2-carboxylic acid, the main research area is carboxylic acid dimer trimer hydrogen bond electron polarizability.

Components of the tensor of the electron polarizability of mols. of carboxylic acids and their dimers and trimers with conjugated chem. bonds are calculated according the Hartree-Fock method. The dependences of a change in the anisotropy of polarizability on the average polarizability of a mol. and the number of electrons in a conjugated system are determined An increase in the anisotropy of electron polarizability during the formation of intermol. associates through hydrogen bonds is observed

Russian Journal of Physical Chemistry A published new progress about Anisotropy. 36428-96-3 belongs to class chlorides-buliding-blocks, name is Pyrene-2-carboxylic acid, and the molecular formula is C17H10O2, Recommanded Product: Pyrene-2-carboxylic acid.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Yin, Lu published the artcileA rapid and green approach to chiral α-hydroxy esters: asymmetric transfer hydrogenation (ATH) of α-keto esters in water by use of surfactants, HPLC of Formula: 32345-60-1, the main research area is keto ester surfactant water ruthenium asym transfer hydrogenation; hydroxy ester stereoselective preparation green chem.

A series of α-hydroxy esters were rapidly prepared (1.5 h) from α-keto esters via asym. transfer hydrogenation in water by the use of surfactants. This green method, catalyzed by a water-soluble and recyclable Ru(II) complex, gave moderate to high enantioselectivities (up to 99.7% ee) with DTAB as an additive and HCO2Na as the hydrogen source.

Tetrahedron: Asymmetry published new progress about Green chemistry. 32345-60-1 belongs to class chlorides-buliding-blocks, name is (S)-Methyl 2-(2-chlorophenyl)-2-hydroxyacetate, and the molecular formula is C9H9ClO3, HPLC of Formula: 32345-60-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Roy, Kunal published the artcileQSTR with extended topochemical atom (ETA) indices. 14. QSAR modeling of toxicity of aromatic aldehydes to Tetrahymena pyriformis, Recommanded Product: 6-Chloro-2-fluoro-3-methylbenzaldehyde, the main research area is QSTR extended topochem atom index QSAR model acute toxicity; model acute toxicity aromatic aldehyde Tetrahymena.

Quant. structure-toxicity relationship (QSTR) models were developed in this study using Extended Topochem. Atom (ETA) indexes for a large group of 77 aromatic aldehydes for their acute toxicity against the protozoan ciliate Tetrahymena pyriformis. The ETA models have been compared with those developed using various non-ETA topol. indexes. Attempt was also made to include the n-octanol/water partition coefficient (log Ko/w) as an addnl. descriptor considering the importance of hydrophobicity in toxicity prediction. Thirty different models were developed using different chemometric tools. All the models were validated using internal validation and external validation techniques. The statistical quality of the ETA models was comparable to that of the non-ETA models. The ETA models have shown the important effects of steric bulk, lipophilicity, presence of electroneg. atom containing substituents and functionality of the aldehydic O to the toxicity of the aldehydes. The best ETA model (without using log Ko/w) shows encouraging statistical quality (Qint2 =0.709, Qext2 =0.744). It is interesting to note that some of the topol. models reported here are better in statistical quality than previously reported models using quantum chem. descriptors.

Journal of Hazardous Materials published new progress about Acute toxicity. 286474-59-7 belongs to class chlorides-buliding-blocks, name is 6-Chloro-2-fluoro-3-methylbenzaldehyde, and the molecular formula is C8H6ClFO, Recommanded Product: 6-Chloro-2-fluoro-3-methylbenzaldehyde.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kim, Doyeon published the artcileIdentification and characterization of potent, selective and metabolically stable IKKβ inhibitor, Recommanded Product: 4-(4-Chlorophenoxy)benzaldehyde, the main research area is rhodanine derivative preparation IKKbeta inhibitor structure activity; Allosteric inhibitor; IKKβ inhibitor; NF-κB; Reumatoid arthritis.

The authors have previously reported the identification of a rhodanine compound (I) with well-balanced inhibitory activity against IKKβ and collagen-induced TNFα activated cells. However, the authors need more optimized compounds because of its instability over plasma and microsome. As part of a program directed toward the optimization of IKKβ inhibitor, the authors modified a substituent of parent compound to a series of functional groups. Among substituted compounds, fluorine substituent (II) on the para position of Ph ring restored the stability toward plasma and microsome while retaining inhibitory potency and selectivity against IKKβ over other kinases. Also, the authors have demonstrated that compound (II) is an ATP non-competitive inhibitor and safe enough to apply to animal experiment from an acute toxicity test.

Bioorganic & Medicinal Chemistry Letters published new progress about Acute toxicity. 61343-99-5 belongs to class chlorides-buliding-blocks, name is 4-(4-Chlorophenoxy)benzaldehyde, and the molecular formula is C13H9ClO2, Recommanded Product: 4-(4-Chlorophenoxy)benzaldehyde.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Patel, Leena published the artcileDiscovery of Orally Efficacious Phosphoinositide 3-Kinase δ Inhibitors with Improved Metabolic Stability, Synthetic Route of 3032-32-4, the main research area is phosphoinositide kinase inhibitor.

Aberrant signaling of phosphoinositide-3-kinase delta (PI3K-delta) has been implicated in numerous pathologies including hematol. malignancies and rheumatoid arthritis. Described in this manuscript is the discovery, optimization and in vivo evaluation of a novel series of pyridine-containing PI3K-delta inhibitors. This work led to the discovery of I, a highly selective inhibitor of PI3K-delta which displays an excellent pharmacokinetic profile and is efficacious in a rodent model of rheumatoid arthritis.

Journal of Medicinal Chemistry published new progress about Antiarthritics. 3032-32-4 belongs to class chlorides-buliding-blocks, name is 2-Amino-3,6-dichlorobenzoic acid, and the molecular formula is C7H5Cl2NO2, Synthetic Route of 3032-32-4.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Archibald, John L. published the artcileDesign of an antithrombotic-antihypertensive agent (Wy 27569). Synthesis and evaluation of a series of 2-heteroaryl substituted dihydropyridines, Recommanded Product: 2-Chloro-3-(trifluoromethyl)benzaldehyde, the main research area is pyridine heteroaryl preparation antithrombotic antihypertensive; antithrombotic antihypertensive heteroaryldihydropyridine.

An approach to the design of potential combined antithrombotic-antihypertensive agents is described. A series of 1,4-dihydropyridines bearing a 1H-imidazol-1-yl or pyrid-3-yl substituted side chain in the 2-position, e.g. I (R, R1 = Me, Et; R2 = 3-pyridyl, 1-imidazolyl, R3 = 2, 3-NO2, X = CH2, CH2O) were synthesized and tested for antihypertensive activity in spontaneously hypertensive rats and for inhibition of TXA2 synthetase in rabbit platelets, in vitro. I (R = Et, R1 = Me, R2 = 1-imidazolyl, R3 = 3-NO2, X = CH2) (II) was shown to be similar in potency to nitrendipine as an antihypertensive agent. II inhibited TXA2 synthetase in rabbit and human platelets in vitro and reduced plasma TXB2 levels in rats at antihypertensive dose levels. The reductions in thromboxane production observed in vivo and in vitro were accompanied by enhanced levels of 6-KPGF1α, reflecting diversion of the arachidonic acid cascade towards prostacyclin synthesis.

Journal of Medicinal Chemistry published new progress about Anticoagulants. 93118-03-7 belongs to class chlorides-buliding-blocks, name is 2-Chloro-3-(trifluoromethyl)benzaldehyde, and the molecular formula is C8H4ClF3O, Recommanded Product: 2-Chloro-3-(trifluoromethyl)benzaldehyde.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zhang, Penglie published the artcileDiscovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide, a highly potent, selective, and orally efficacious factor Xa inhibitor, SDS of cas: 23082-45-3, the main research area is betrixaban factor Xa inhibitor.

Systematic SAR studies of in vitro factor Xa inhibitory activity around N-[(5-chloropyridin-2-yl)-2-(4-N,N-dimethylcarbamimidoyl)benzamido]benzamide were performed by modifying each of the three Ph rings. A class of highly potent, selective, efficacious and orally bioavailable direct factor Xa inhibitors was discovered. These compounds were screened in hERG binding assays to examine the effects of substitution groups on the hERG channel affinity. From the leading compounds, betrixaban (PRT054021) has been selected as the clin. candidate for development.

Bioorganic & Medicinal Chemistry Letters published new progress about Anticoagulants. 23082-45-3 belongs to class chlorides-buliding-blocks, name is 3,5-Dichloro-2-nitrobenzoic acid, and the molecular formula is C7H3Cl2NO4, SDS of cas: 23082-45-3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Jakobsen, P. published the artcileInhibitors of the tissue factor/factor VIIa-induced coagulation: synthesis and in vitro evaluation of novel specific 2-aryl substituted 4H-3,1-benzoxazin-4-ones, Application of 2-Amino-3,6-dichlorobenzoic acid, the main research area is benzoxazinone preparation structure anticoagulant.

The synthesis of a series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-ones and their evaluation as specific inhibitors of the Tissue Factor (TF)/Factor VIIa (FVIIa)-induced pathway of coagulation is reported. Inhibitory activities (IC50 values) in the range 0.17 to °40 μM on the activation of Factor X (FX) by the TF/FVIIa complex were found for compounds having one or two electroneg. substituents such as F, Cl and NO2 in the 2-aryl substituent. Different substitutions both electron-attracting and donating groups were allowed in the 5, 6, 7 and 8 positions. Several of the compounds showed a selectivity ratio towards FX and thrombin of °50, thus being the first small mols. described as potential drugs for oral antithrombotic treatment without side effects such as bleeding which is observed especially with thrombin inhibitors. The best substituent pattern being the 2-aryl group substituted with: 2-F; 2,6-F2; or 2-FX; 6-Cl; together with electroneg. substitution in the 5, 6, 7, or 8 positions. 2-Heteroaryl substituents like thienyl and furanyl were of low activity while some 2-(2-chloro-3-pyridyl) derivatives had inhibitory activity <10 μM and a good selectivity. Bioorganic & Medicinal Chemistry published new progress about Anticoagulants. 3032-32-4 belongs to class chlorides-buliding-blocks, name is 2-Amino-3,6-dichlorobenzoic acid, and the molecular formula is C7H5Cl2NO2, Application of 2-Amino-3,6-dichlorobenzoic acid.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Clarke, Earl published the artcileDesign and synthesis of a potent, highly selective, orally bioavailable, retinoic acid receptor alpha agonist, Category: chlorides-buliding-blocks, the main research area is chloroethoxyisopropoxybenzamidomethylbenzoate preparation bioavailability retinoate receptor alpha agonist.

A ligand-based virtual screening exercise examining likely bioactive conformations of AM 580 and AGN 193836 was used to identify the novel, less lipophilic RARα agonist 4-(3,5-dichloro-4-ethoxybenzamido)benzoic acid (5), which has good selectivity over the RARβ, and RARγ receptors. Anal. of the medicinal chem. parameters of the 3,5-substituents of derivatives of template (5) enabled the authors to design a class of drug-like mols. with lower intrinsic clearance and higher oral bioavailability which led to the novel RARα agonist 4-(3-chloro-4-ethoxy-5-isopropoxybenzamido)-2-methylbenzoic acid (56) that has high RARα potency and excellent selectivity vs. RARβ (2 orders of magnitude) and RARγ (4 orders of magnitude) at both the human and mouse RAR receptors with improved drug-like properties. This RARα specific agonist (56) has high oral bioavailability (>80%) in both mice and dogs with a good PK profile and was shown to be inactive in cytotoxicity and genotoxicity screens.

Bioorganic & Medicinal Chemistry published new progress about Binding energy. 62936-23-6 belongs to class chlorides-buliding-blocks, name is 3-Chloro-4-hydroxy-5-methoxybenzoic acid, and the molecular formula is C8H7ClO4, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Shimada, Kinji published the artcileOrganic compounds in kraft bleaching spent liquors. V. Photodegradation of red-pine chlorinated oxylignin, Formula: C8H7ClO4, the main research area is UV light degradation chlorinated oxylignin; dechlorination chlorinated oxylignin photodegradation; demethoxylation chlorinated oxylignin photodegradation; photodegradation chlorinated lignin model compound.

The degradation of chlorinated oxylignin (I) in NaOH solution with UV light in the presence of O increased with increasing pH and resulted in the formation of low-mol.-weight compounds with accompanying dechlorination, demethoxylation, and cleavage of the aromatic rings and in the reduction of COD of I solutions Upon UV irradiation in the presence of N, no reduction of COD and cleavage of aromatic rings were observed, but Cl and methoxy groups were removed, the color of the I solution became dark, and the I was polymerized slightly. In the methoxy group-containing chlorinated model compounds for lignin, the cleavage of C-Cl bonds in the presence of N promoted a demethoxylation reaction.

Mokuzai Gakkaishi published new progress about Dechlorination. 62936-23-6 belongs to class chlorides-buliding-blocks, name is 3-Chloro-4-hydroxy-5-methoxybenzoic acid, and the molecular formula is C8H7ClO4, Formula: C8H7ClO4.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics