Tag: M.W=150-200

Louis, Bruno published the artcileQSAR modeling of aquatic toxicity of aromatic aldehydes using artificial neural network (ANN) and artificial neural network (MLR), Computed Properties of 286474-59-7, the main research area is QSAR aquatic toxicity aromatic aldehyde; artificial neural network artificial neural network.

In the present work, quant. structure-activity relationship anal. (QSAR) to predict the toxic potency of 77 aromatic aldehydes to ciliate Tetrahymena pyriformis has been investigated by means of multiple linear regression (MLR) and artificial neural network (ANN). The relationships between structure and toxicity were examined quant. using octanol/water partition coefficient (log Kow) encoding hydrophobic and mol. connectivity index depicting topol. structural features of aldehydes. The data set was split into train and test set and these sets were used to derive statistically robust and predictive (both internally and externally) models. The study demonstrates that both MLR and ANN models have good predictive power but ANN model shows a better statistical parameter in comparison with MLR model.

Journal of the Indian Chemical Society published new progress about Aquatic toxicity. 286474-59-7 belongs to class chlorides-buliding-blocks, name is 6-Chloro-2-fluoro-3-methylbenzaldehyde, and the molecular formula is C8H6ClFO, Computed Properties of 286474-59-7.

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

Nencini, Arianna published the artcileDesign and synthesis of a hybrid series of potent and selective agonists of α7 nicotinic acetylcholine receptor, Category: chlorides-buliding-blocks, the main research area is SAR preparation alpha 7 nicotinic acetylcholine receptor agonist preparation; drug design mol docking chem library preparation; Alzheimer’s disease; Cognition; Neuronal nicotinic acetylcholine receptors; Nicotinic ligands; Schizophrenia.

α7 Nicotinic acetylcholine receptor agonists are promising therapeutic candidates for the treatment of cognitive impairment. As a follow up of our internal medicinal chem. program we investigated a novel series of α7 nAChR agonists. Starting from mol. docking studies on two series of mols. recently developed in our laboratories, an alternative scaffold was designed attempting to combine the optimal features of these previously identified urea and pyrazole compounds Based on our previous SAR knowledge and on predicted drug-like properties, a small library was synthesized in parallel manner, affording compounds with excellent α7 nAChR activity, selectivity and preliminary ADME profile.

European Journal of Medicinal Chemistry published new progress about Chemical library. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, Category: chlorides-buliding-blocks.

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

Peng, Zhenghong published the artcileDegrasyn-like symmetrical compounds: Possible therapeutic agents for multiple myeloma, Synthetic Route of 286474-59-7, the main research area is degrasyn analog preparation antitumor multiple myeloma; Degrasyn; Inhibitors; Jak2/Stat3; Multiple myeloma; Small molecules; Synthesis.

A series of degrasyn-like sym. compounds, e.g. I [R = indol-3-yl, 4-(piperidin-1-yl)phenyl, 6-methoxypyridin-2-yl, etc.] have been designed, synthesized, and screened against B cell malignancy (multiple myeloma, mantle cell lymphoma) cell lines. The lead compounds T5165804 and CP2005 showed higher nanomolar potency against these tumor cells in comparison to degrasyn and inhibited Usp9x activity in vitro and in intact cells. These observations suggest that this new class of compounds holds promise as cancer therapeutic agents.

Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 286474-59-7 belongs to class chlorides-buliding-blocks, name is 6-Chloro-2-fluoro-3-methylbenzaldehyde, and the molecular formula is C8H6ClFO, Synthetic Route of 286474-59-7.

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

Lee, Hyu Ji published the artcileIsoindol-1,3-dione and isoindol-1-one derivatives with high binding affinity to β-amyloid fibrils, HPLC of Formula: 99585-12-3, the main research area is isoindoledione derivative preparation amyloid fibril binding Alzheimer diagnostic probe; isoindolone derivative preparation amyloid fibril binding Alzheimer diagnostic probe; lactam aryl preparation amyloid fibril binding Alzheimer diagnostic probe; cyclic imide preparation amyloid fibril binding Alzheimer diagnostic probe.

Based on the structural features of Indoprofen and PIB, a series of isoindol-1,3-diones and isoindol-1-ones were designed and synthesized. These 23 compounds were evaluated by competitive binding assay against aggregated Aβ42 fibrils using [125I]TZDM. All the isoindolone derivatives showed very good binding affinities with Ki values in the subnanomolar range (0.42-0.94 nM). Among them, isoindol-1,3-diones (I, R1 = Br, R2 = Me2N, R3 = MeO; R1 = H, R2 = MeO, R3 = Me2N) and isoindol-1-ones (II, R4 = F, R5 = R7 = H, R6 = Me2N; R4 = H, R5 = Me, R6 = Me2N, R= MeO) exhibited excellent binding affinities (Ki = 0.42-0.44 and 0.46-0.49 nM), resp., than those of Indoprofen (Ki = 0.52 nM) and PIB (Ki = 0.70 nM). These results suggest that isoindolones could be served as a scaffold for potential AD diagnostic probes to monitor Aβ fibrils.

Bioorganic & Medicinal Chemistry Letters published new progress about Alzheimer disease. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, HPLC of Formula: 99585-12-3.

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

Huang, Hongbing published the artcileStructure- and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer’s disease, Related Products of chlorides-buliding-blocks, the main research area is aminooxazoline xanthene synthesis CNS penetrable antialzheimer agent structure activity; crystal structure aminooxazoline xanthene BACE beta secretase inhibitor pharmacokinetic; ketone demethylation methylation etherification acylation olefination cyclization Suzuki coupling.

A structure- and property-based drug design approach was employed to identify aminooxazoline xanthenes as potent and selective human β-secretase inhibitors. These compounds exhibited good isolated enzyme, cell potency, and selectivity against the structurally related aspartyl protease cathepsin D. Our efforts resulted in the identification of a potent, orally bioavailable CNS penetrant compound that exhibited in vivo efficacy. A single oral dose of compound (I) resulted in a significant reduction of CNS Aβ40 in naive rats.

Journal of Medicinal Chemistry published new progress about Alzheimer disease. 1072952-42-1 belongs to class chlorides-buliding-blocks, name is (5-Chloro-2-fluoro-4-methylphenyl)boronic acid, and the molecular formula is C7H7BClFO2, Related Products of chlorides-buliding-blocks.

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

Luecking, Ulrich published the artcileChanging for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly Intravenous Dosing for the Treatment of Cancer, Quality Control of 1214344-25-8, the main research area is CDK9 inhibitor VIP152 weekly intravenous dosing cancer; diffuse large B cell lymphoma.

Selective inhibition of exclusively transcription-regulating pos. transcription elongation factor b/CDK9 is a promising new approach in cancer therapy. Starting from atuveciclib, the first selective CDK9 inhibitor to enter clin. development, lead optimization efforts aimed at identifying i.v. (iv) applicable CDK9 inhibitors with an improved therapeutic index led to the discovery of the highly potent and selective clin. candidate VIP152 (I). The evaluation of various scaffold hops was instrumental in the identification of VIP152, which is characterized by the underexplored benzyl sulfoximine group. VIP152 exhibited the best preclin. overall profile in vitro and in vivo, including high efficacy and good tolerability in xenograft models in mice and rats upon once weekly iv administration. VIP152 has entered clin. trials for the treatment of cancer with promising longterm, durable monotherapy activity in double-hit diffuse large B-cell lymphoma patients.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 1214344-25-8 belongs to class chlorides-buliding-blocks, name is 1-(Chloromethyl)-3-fluoro-5-nitrobenzene, and the molecular formula is C7H5ClFNO2, Quality Control of 1214344-25-8.

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

Ruchelman, Alexander L. published the artcileIsosteric analogs of lenalidomide and pomalidomide: Synthesis and biological activity, HPLC of Formula: 99585-12-3, the main research area is dioxopiperidinyl isoindolinone isoindoledione preparation antitumor antiinflammatory agent; structure dioxopiperidinyl isoindolinone isoindoledione inhibition TNF alpha; antitumor immunomodulation activity dioxopiperidinyl isoindolinone isoindoledione; bioavailability dioxopiperidinyl isoindolinone isoindoledione TNF alpha inhibitor.

Dioxopiperidinyl isoindolinones such as I (R = Cl, Me) and dioxopiperidinyl isoindolediones were prepared as analogs of the immunomodulary drugs lenalidomide and pomalidomide for potential use as antiinflammatory and antitumor agents. I (R = Me) and I (R = Cl), resp., displayed potent inhibition of tumor necrosis factor-α (TNF-α) in lipopolysaccharide-stimulated human peripheral blood mononuclear cells, potent stimulation of IL-2 in a human T cell co-stimulation assay, and anti-proliferative activity against Namalwa human lymphoma cells. I (R = Cl, Me) were orally bioavailable in rats.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, HPLC of Formula: 99585-12-3.

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

Aswathanarayanappa, Chandrashekar published the artcileSynthesis, invitro and invivo anti-hyperglycemic activity of 1,2,4-triazolebenzylidene and 1,3,4-thiadiazole derivatives, Safety of Methyl 4-chloro-2-methylbenzoate, the main research area is benzylideneamino triazolethiol diastereoselective preparation antihyperglycemic antioxidant SAR; aminotriazolethiol aryl aldehyde; triazolothiadiazole preparation antihyperglycemic antioxidant SAR; aryl carboxylic acid aminotriazolethiol cyclocondensation.

New series of 1,2,4-triazole based Schiff bases I [R1 = H, 2-F, 4-OH, etc.] and 1,3,4-thiadiazole derivatives II [R2 = 2-Br-4-F, 2,6-CH3, 3-Br-5-I, etc.] were synthesized by utilizing 4-amino-5-(4-chloro-2-methylphenyl)-4H-1,2,4-triazole-3-thiol as active intermediate and evaluated for invitro anti-hyperglycemic activity by α-glucosidase enzyme inhibition and invivo by streptozotocin(STZ) and nicotinamide induced T2DM rat model. The compounds I [R1 = H, 2-F, 3-F, 2,5-OH, 4-OH, 4-OCH3] which showed potential DPPH radical scavenging activity with a level of inhibition ranging between 70% and 90% were considered for anti-hyperglycemic activity. The structure activity relationship studies revealed that the compounds I [R1 = 4-OH, 2,5-OH] showed good antioxidant property.

International Journal of PharmTech Research published new progress about Antidiabetic agents. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, Safety of Methyl 4-chloro-2-methylbenzoate.

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

Li, Qing published the artcileRapid generation of novel benzoic acid-based xanthine derivatives as highly potent, selective and long acting DPP-4 inhibitors: scaffold-hopping and prodrug study, Computed Properties of 99585-12-3, the main research area is diabetes antidiabetes DPP 4 benzoic acid xanthine prodrug pharmacokinetics; Benzoic acid; DPP-4 inhibitor; Prodrug; Scaffold-hopping; Xanthine derivatives.

A series of novel xanthine derivatives 2a-l incorporating benzoic acid moieties were rapidly generated by using strategy of scaffold-hopping from our previously reported scaffold uracil to xanthine, a scaffold of approved drug linagliptin. After systematic structure-activity relationship (SAR) study around benzoic acid moieties, 5 novel DPP-4 inhibitors with low picomolar potency range (IC50 < 1 nM) and excellent selectivity against various DPP-4 homologues were identified, in which the best one, compound 2f(I), with the IC50 value of 0.1 nM for DPP-4, showed 22-fold improvement in inhibitory activity compared to lead compound uracil 1, its activity was 45-fold more potent than alogliptin. 2E, I, 2i(II) and 2k were selected for pharmacokinetic evaluation, and I and II showed the better pharmacokinetic profiles after iv administration, but poor oral bioavailability. To improve the oral pharmacokinetic profile, prodrug design approach was performed around I and II. Esters of I and II were synthesized and evaluated for stability, toxicity and pharmacokinetics. Compound 3e(III), the Me ester of compound I, was identified to demonstrate good stability, low toxicity and improved oral bioavailability, with 3-fold higher blood concentration compared to I in rats. The following in vivo evaluations revealed III provided a sustained pharmacodynamics effect for 48h, and robustly improved glucose tolerance in normal ICR and db/db mice in dose-dependent manner. Chronic treatments investigations demonstrated that III achieved more beneficial effects on fasting blood glucose levels and glucose tolerance than alogliptin in type 2 diabetic db/db mice. The overall results have shown that compound III has the potential to efficacious, safety and long-acting treatment for T2DM. European Journal of Medicinal Chemistry published new progress about Antidiabetic agents. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, Computed Properties of 99585-12-3.

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

Li, Yitao published the artcileDesign, synthesis, and biological evaluation of phenyloxadiazole derivatives as potential antifungal agents against phytopathogenic fungi, Name: Methyl 4-chloro-2-methylbenzoate, the main research area is phenyloxadiazole preparation antifungal activity.

A novel series of picarbutrazox-inspired oxadiazole hybrids I (R = 4-cyanophenyl, 3,5-dibromophenyl, 3,5-dichloro-4-(3-methoxyphenoxy)phenyl, etc.) was synthesized and the derivatives’ biol. activity against phytopathogenic fungi was investigated. The mols. were designed by retaining the active fragment of tetrazolyl phenyloxime ether of lead compound picarbutrazox, while introducing the potentially active oxadiazole-derived fragment I. Bioassay results revealed that some of the title compounds showed potent in vivo antifungal activities to control cucumber downy mildew. Therefore, this novel oxadiazole phenyloxadiazole derivative I can be used as a potential antifungal agent to control cucumber downy mildew and other phytopathogenic fungi for crop protection.

Monatshefte fuer Chemie published new progress about Agrochemical fungicides. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, Name: Methyl 4-chloro-2-methylbenzoate.

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