기본 정보
- CAS
297157-92-7- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2cccc(Oc3ccccc3)c2)cc1OC- InChIKey
IWMJWWNRHGYHOW-UHFFFAOYSA-N- 분자식
- C33H30N2O4
- 평균 분자량
- 518.6 g/mol
- 단동위원소 질량
- 518.22055744
이름 및 식별자
- 우선 이름
- 9-(3,4-Dimethoxyphenyl)-6-(3-phenoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9-(3,4-dimethoxyphenyl)-6-(3-phenoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- 영어명
- 3-(3,4-DiMethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one
- 분자식
- C33H30N2O4
- 분자량
- 518.6
이름 및 동의어
297157-92-73-(3,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one9-(3,4-dimethoxyphenyl)-6-(3-phenoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one3-(3,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-3-(3,4-dimethoxyphenyl)-11-(3-phenoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-onePropanedioic acid 1,3-bis(phenylmethyl) ester;Malonic acid, dibenzyl ester; Propanedioic acid bis(phenylmethyl) ester; Dibenzyl malonate; NSC 101027CBMicro_047440MixCom6_002384Oprea1_384479CHEMBL1485795SCHEMBL12541377STK047915
이름 더 보기
1H-Dibenzo[b,e][1,4]diazepin-1-one, 3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(3-phenoxyphenyl)-
AKOS001622794AKOS022083941BIM-0047641.P001DB-293539SR-01000450869SR-01000450869-1
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 68.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 870
화학 및 산업
응용 분야
용도3-(3,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one is a cytoprotective modulator of apoptotic signal kinase-1 (ASK1). Studies suggest that it maybe useful for revealing endogenous mechanisms that regulate inhibitory phosphorylation of ASK1.
공급사5 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…