기본 정보
- CAS
69866-21-3- 표준 SMILES
COc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6CC7CC78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(N)=O- InChIKey
UOWVMDUEMSNCAV-UHFFFAOYSA-N- 분자식
- C37H33N7O8
- 평균 분자량
- 703.7 g/mol
- 단동위원소 질량
- 703.23906104
이름 및 식별자
- 우선 이름
- CC-1065
- IUPAC
- 5-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
- 현지명
- 레이첼마이신
- 영어명
- Rachelmycin
- 분자식
- C37H33N7O8
- 분자량
- 703.7
이름 및 동의어
CC-10655-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamideCC 10655-hydroxy-2-(5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo(7.4.0.01,12.02,6)trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo(3,2-e)indole-6-carbonyl)-4-methoxy-7,8-dihydro-3H-pyrrolo(3,2-e)indole-6-carboxamideRefChem:918155NSC298223NSC-298223CHEMBL152578SCHEMBL14586762SCHEMBL29352114CHEBI:223705UOWVMDUEMSNCAV-UHFFFAOYSA-N
이름 더 보기
레이첼마이신RachelmycinUOWVMDUEMSNCAV-WYENRQIDSA-NBenzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[[(7bR,8aS)-4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl]carbonyl]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 210 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,610
물리화학적 성질
- 끓는 점
- 704.36 °C · 704.36°C (rough estimate)
- 밀도
- 1.2929 · 1.2929 (rough estimate)
- 굴절률
- 1.691 · 1.6910 (estimate)
- 색상
- 클러스터된 바늘 또는 무정형 호박색 거품
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
공급사2 곳
MedChemExpress[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
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