기본 정보
- CAS
1415119-52-6- 표준 SMILES
COC(=O)N[C@H](C(=O)N1[C@H](c2nc3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc7nc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c7c6)c4)CC5)cc3[nH]2)C[C@@H]2CCCC[C@@H]21)C(C)C- InChIKey
LSYBRGMTRKJATA-IVEWBXRVSA-N- 분자식
- C60H72N8O6
- 평균 분자량
- 1,001.3 g/mol
- 단동위원소 질량
- 1,000.55748205
개요
Odalasvir has been used in trials studying the treatment of Hepatitis C, Chronic and Chronic Hepatitis C Infection.
이름 및 식별자
- 우선 이름
- C,C'-Dimethyl N,N'-(tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis(1H-benzimidazole-6,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis(carbamate)
- IUPAC
- methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
- 영어명
- Odalasvir
- 분자식
- C60H72N8O6
- 분자량
- 1001.26
이름 및 동의어
Odalasvir1415119-52-6OVR52K7BDWACH-0143102DTXSID401032258Carbamic acid, N,N'-(tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis(1H-benzimidazole-6,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl esterDimethyl N,N'-(1,4(1,4)-dibenzenacyclohexaphane-12,42-diylbis(1hbenzimidazole-5,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((2S)-3-methyl-1-oxobutan-1,2-diyl)))biscarbamateMethyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamateodalasvirummethyl N-((2S)-1-((2S,3aS,7aS)-2-(6-(11-(2-((2S,3aS,7aS)-1-((2S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)-3H-benzimidazol-5-yl)-5-tricyclo(8.2.2.24,7)hexadeca-1(12),4,6,10,13,15-hexaenyl)-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
물성
구조 계산 물성
- XLogP
- 11.5
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 74
- 형식 전하
- 0
- 복잡도
- 1,840
물리화학적 성질
- 밀도
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.93 · 10.93±0.46(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
공급사10 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
台州市科瑞生物技术有限公司+86-0576-88813233 +86-13396860566 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…