CAS 836683-15-9 Acumapimod (HCID 11338127)

기본 정보

CAS: 836683-15-9
표준 SMILES: Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(C#N)c2)c1N
InChIKey: VGUSQKZDZHAAEE-UHFFFAOYSA-N
분자식: C22H19N5O2
평균 분자량: 385.4 g/mol

개요

Acumapimod is under investigation in clinical trial NCT02926326 (The Effect of Azithromycin on BCT197 Exposure in Healthy Male Volunteers).

이름 및 식별자

우선 이름: Acumapimod
IUPAC: 3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
현지명: 아쿠마피모드(BCT-197)
영어명: Acumapimod (BCT-197)
분자식: C22H19N5O2
분자량: 385.42

이름 및 동의어

Acumapimod836683-15-9BCT-1972F16KW647L3-(5-Amino-4-(3-cyanobenzoyl)pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamideBenzamide, 3-(5-amino-4-(3-cyanobenzoyl)-1H-pyrazol-1-yl)-N-cyclopropyl-4-methyl-3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamideacumapimodumBenzamide, 3-[5-amino-4-(3-cyanobenzoyl)-1H-pyrazol-1-yl]-N-cyclopropyl-4-methyl-RefChem:109601Acumapimod (BCT-197)Acumapimod [INN]

이름 더 보기

아쿠마피모드(BCT-197)CS-2801BCT-197-A2201Ixazomib Impurity 62Acumapimod, 10 mM in DMSOinhibit,p38 MAPK,BCT197,BCT 197,Acumapimod,Inhibitor,Autophagy

3-(5-amino-4-(3-cyanobenzoyl)-1H-pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamideUNII-2F16KW647LMFCD28902244BCT197SCHEMBL1382253compound A [WO2013139809]3-[5-Amino-4-(3-cyanobenzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide3-[5-amino-4-(3-cyano-benzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 114 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 29
형식 전하: 0
복잡도: 684

물리화학적 성질

저장 조건: -20 °C · Store at -20°C
용해도: 50 · DMSO:50.0(Max Conc. mg/mL);129.73(Max Conc. mM)
물리적 상태: 결정성 고체
색상: White to off-white
InChI: InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)
InChIKey: VGUSQKZDZHAAEE-UHFFFAOYSA-N
SMILES: C(NC1CC1)(=O)C1=CC=C(C)C(N2C(N)=C(C(=O)C3=CC=CC(C#N)=C3)C=N2)=C1