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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 CFMTI - ≥98% , CAS No.864864-17-5
Shipped In
Ice chest + Ice pads
概要 CFMTI inhibits L-glutamate-induced intracellular Ca 2+ mobilization in CHO cells expressing human and rat mGluR1a , with IC 50 s of 2.6 and 2.3 nM, respectively
Form:Solid
IC50& Target:Human mGluR1a 2.6 nM (IC 50 ) Rat mGluR1a 2.3 nM (IC 50 )
仕様 生化学的・生理学的メカニズム
CFMTI inhibits L-glutamate-induced intracellular Ca 2+ mobilization in CHO cells expressing human and rat mGluR1a , with IC 50 s of 2.6 and 2.3 nM, respectively.
入荷
Ice chest + Ice pads
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名前と識別子 カノニカル・スマイル
CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5
IUPAC Name
2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
InChIKey
XZBFQWRAIYRPPZ-UHFFFAOYSA-N
INCHI
1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
異性体SMILES
CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds 分類 Azoles Subclass Triazoles Intermediate Tree Nodes Phenyltriazoles Direct Parent Phenyl-1,2,3-triazoles Alternative Parents Isoindolones Isoindoles 2-halopyridines Benzenoids Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenyl-1,2,3-triazole - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - 2-halopyridine - Aryl fluoride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 溶解度 DMSO : 3.7 mg/mL (10.59 mM; ultrasonic and warming and heat to 80°C) 分子量 349.400 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 349.134 Da Monoisotopic Mass 349.134 Da Topological Polar Surface Area 63.900 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 558.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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