기본 정보
- CAS
940289-57-6- 표준 SMILES
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1- InChIKey
HUNAOTXNHVALTN-UHFFFAOYSA-N- 분자식
- C19H18ClN3O4
- 평균 분자량
- 387.8 g/mol
- 단동위원소 질량
- 387.0985838
개요
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide is an aromatic amide obtained by formal condensation of the carboxy group of 5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)pyrazole-3-carboxylic acid with the amino group of ethylamine. It has a role as a Hsp90 inhibitor. It is a monomethoxybenzene, a member of pyrazoles, a member of resorcinols, an aromatic amide and a member of monochlorobenzenes.
이름 및 식별자
- 우선 이름
- 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
- IUPAC
- 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
- 영어명
- VER-49009
- 분자식
- C19H18ClN3O4
- 분자량
- 387.81692
이름 및 동의어
5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDERefChem:530540VER-49009558640-51-0940289-57-63-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-5-carboxamideVER49009CHEMBL365617CHEBI:47273MFCD18382094N-Ethyl-3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide3owb
이름 더 보기
CCT0129397VER-49009 USP/EP/BPVER49009, 10 mM in DMSO5-(3-chloro-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-n-ethyl-4-(4-methoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
Kinome_3578orb1221619orb1222980orb1304188orb1305850SCHEMBL2684425SCHEMBL21067994BDBM15372
데이터베이스 식별자
- CAS
940289-57-6- PubChem CID
- 4369536
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 503
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
화학 및 산업
응용 분야
용도VER-49009 is an inhibitor of Hsp90.
공급사60 곳
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