Category: 99585-12-3

Kofod, Helmer published the artcileIsomerism of hydroxyurea. XI. Absorption spectra in the infrared, Recommanded Product: Methyl 4-chloro-2-methylbenzoate, the main research area is .

cf. CA 54, 1291b. A survey of the Raman and infrared spectroscopy of urea and hydroxyurea isomers is presented, and assignment of the principal absorption frequencies is attempted. Although no rigorous proof has been furnished, the results are compatible with the proposed constitutions, carbamhydroxamic acid and O-carbamoylhydroxylamine, resp.

Acta Chemica Scandinavica published new progress about IR spectra. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, Recommanded Product: Methyl 4-chloro-2-methylbenzoate.

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

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

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

Aswathanarayanappa, Chandrashekar published the artcileSynthesis and biological evaluation of 2,5-diphenyl-1,3,4-oxadiazole and 3,6-diphenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives, HPLC of Formula: 99585-12-3, the main research area is oxadiazole diphenyl triazolothiadiazole preparation antibacterial antifungal antioxidant.

A new series of 2,5-diphenyl-1,3,4-oxadiazole I (R2 = 2-CH3, 4-Cl,2-CH3; R3 = 2-Br,4-F, 2,3,4-F3, 4-Br,3-CH3, 4-F,3-NO2, 4-Cl,2-CH3) and 3,6-diphenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives II were synthesized and evaluated for their antimicrobial and antioxidant activity to study the effect of substitution on the Ph ring of benzoic acid on these activities. The I were obtained from acid hydrazide on treatment with different benzoic acid in the presence of phosphorus oxychloride. Cyclo-condensation of the SH and NH2 groups of aminothiol 5 with appropriate benzoic acid derivatives in presence of phosphoryl chloride gave II derivatives The toxicity risk assessment; cLogP, solubility, drug likeness and drug score for these compounds was predicted, compounds I (R2 = 2-CH3; R3 = 2-Br,4-F, 2,3,4-F3, 4-Br,3-CH3) and I (R2 = 4-Cl,2-CH3; R3 = 2-Br,4-F, 2,3,4-F3, 4-Br,3-CH3, 4-F,3-NO2) were assessed as non-toxic, while I (R2 = 2-CH3: R3 = 4-F,3-NO2) indicated irritating effects and I (R2 = 2-CH3; R3 = 4-Cl,2-CH3) medium risk mutagenicity. The II have shown high risk of reproductive effects. The compounds I (R2 = 2-CH3, 4-Cl,2-CH3; R3 = 2,3,4-F3, 4-F,3-NO2); II (R2 = 2-CH3, 4-Cl,2-CH3; R3 = 2,3,4-F, 4-Br,3-CH3, 4-F,3-NO2) and I (R2 = 2-CH3, 4-Cl,2-CH3; R3 = 2-Br,4-F, 2,3,4-F3, 4-F,3-NO2, 4-Cl,2-CH3), II (R2 = 2-CH3, 4-Cl,2-CH3; R3 = 2-Br,4-F, 2,3,4-F3) showed pronounced antibacterial and antifungal activity resp., while II (R2 = 2-CH3; R3 = 2,3,4-F3, 4-Br,3-CH3) exhibited promising antioxidant activity.

Inventi Impact: Med Chem published new progress about Antibacterial 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

Chen, Peng-Fei published the artcileBronsted Acid Catalyzed Dearomatization by Intramolecular Hydroalkoxylation/Claisen Rearrangement: Diastereo- and Enantioselective Synthesis of Spirolactams, Related Products of chlorides-buliding-blocks, the main research area is spirolactam enantioselective diastereoselective preparation atom economy kinetic resolution; ynamide dearomatization intramol hydroalkoxylation Claisen rearrangement Bronsted acid catalyst; Brønsted acids; alkynes; cyclizations; heterocycles; kinetic resolution.

A novel Bronsted acid catalyzed intramol. hydroalkoxylation/Claisen rearrangement, allowing practical and atom-economic synthesis of a range of valuable spirolactams such as I [R1 = Ph, 4-MeC6H4, 4-F3CC6H4, etc.; R2 = Ph, 2-BrC6H4, 4-MeOC6H4, etc.; R3 = H, 8-F, 7-MeO, etc.; R4 = Ts, SO2Ph, Bs, etc.] from readily available ynamides in generally good to excellent yields with excellent diastereoselectivities and broad substrate scope was described. Importantly, an unexpected dearomatization of nonactivated arenes and heteroaromatic compounds was involved in this tandem sequence. Moreover, an asym. version of this tandem cyclization was also achieved by efficient kinetic resolution by chiral phosphoric acid catalysis. In addition, [3,3]-rearrangement was shown to be kinetically preferred over related [1,3]-rearrangement by theor. calculations

Angewandte Chemie, International Edition published new progress about [3,3]-Sigmatropic rearrangement. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, Related Products of chlorides-buliding-blocks.

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

Kurata, Haruto published the artcileDiscovery of a 1-Methyl-3,4-dihydronaphthalene-Based Sphingosine-1-Phosphate (S1P) Receptor Agonist Ceralifimod (ONO-4641). A S1P1 and S1P5 Selective Agonist for the Treatment of Autoimmune Diseases, COA of Formula: C9H9ClO2, the main research area is sphingosinephosphate receptor agonist ceralifimod immunomodulator autoimmune disease.

The discovery of 1-({6-[(2-methoxy-4-propylbenzyl)oxy]-1-methyl-3,4-dihydronaphthalen-2-yl}methyl)azetidine3-carboxylic acid (I) (13n, ceralifimod, ONO-4641), a sphingosine-1-phosphate (S1P) receptor agonist selective for S1P1 and S1P5, is described. While it has been revealed that the modulation of the S1P1 receptor is an effective way to treat autoimmune diseases such as relapsing-remitting multiple sclerosis (RRMS), it was also reported that activation of the S1P3 receptor is implicated in some undesirable effects. The authors carried out a structure-activity relationship (SAR) study of hit compound 6 with an amino acid moiety in the hydrophilic head region. Following identification of a lead compound with a dihydronaphthalene central core by inducing conformational constraint, optimization of the lipophilic tail region led to the discovery of I as a clin. candidate that exhibited >30 000-fold selectivity for S1P1 over S1P3 and was potent in a peripheral lymphocyte lowering (PLL) test in mice (ED50 = 0.029 mg/kg, 24 h after oral dosing).

Journal of Medicinal Chemistry published new progress about Anti-multiple sclerosis agents. 99585-12-3 belongs to class chlorides-buliding-blocks, name is Methyl 4-chloro-2-methylbenzoate, and the molecular formula is C9H9ClO2, COA of Formula: C9H9ClO2.

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