기본 정보
- CAS
89270-28-0- 표준 SMILES
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/CO)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O- InChIKey
ZPZHKIOMBYYVRD-WRDPQARASA-N- 분자식
- C62H111N11O13
- 평균 분자량
- 1,218.6 g/mol
- 단동위원소 질량
- 1,217.83628264
개요
Cyclosporin A metabolite M17 is a cyclosporin A derivative that is cyclosporin A in which residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has undergone allylic oxidation to give the corresponding primary allylic alcohol. It specifically inhibits growth of renal cells in culture. It has a role as a drug metabolite. It is a primary allylic alcohol and a cyclosporin A derivative.
이름 및 식별자
- 우선 이름
- Cyclosporin AM 1 (>80%)
- IUPAC
- (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1,6-dihydroxy-2-methylhex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- 현지명
- 사이클로스포린대사산물M17
- 영어명
- cyclosporine metabolite M17
- 분자식
- C62H111N11O13
- 분자량
- 1218.61
이름 및 동의어
Cyclosporin AM 1 (>80%)Cyclosporin AM 1OL-17(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-((1R,2R,E)-1,6-Dihydroxy-2-methylhex-4-en-1-yl)-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaoneOL 17starbld0037844cyclosporin metabolite AM1Cyclosporin metabo lite 17Cyclosporine AM1 (M17)Cyclosporin A Metabolite 17cyclosporin A metabolite M17cyclosporine A metabolite M17
이름 더 보기
사이클로스포린대사산물M17M 17Csa m17Cyclosporine AM 1HydroxycyclosporineCyclosporin AM 1 (>Cyclosporin AM 1 (>80%)Cyclosporin Impurity 26Cyclosporin Metabolite 17
CHEMBL2407580SCHEMBL29448769CHEBI:140154DTXSID201366235FC207536-[(2S,3R,4R,6E)-3,8-dihydroxy-4-methyl-2-(methylamino)-6-octenoic acid]cyclosporin6-[(2S,3R,4R,6E)-3,8-Dihydroxy-4-methyl-2-(methylamino)-6-octenoic acid]cyclosporin A(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(1R,2R,4E)-1,6-dihydroxy-2-methylhex-4-en-1-yl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 299 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 86
- 형식 전하
- 0
- 복잡도
- 2,350
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Ciclosporin
물리화학적 성질
- 녹는점
- 146 · 146-148C
- 끓는 점
- 1325.2 · 1325.2±65.0 °C(Predicted)
- 밀도
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.32 · 13.32±0.70(Predicted)
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
공급사15 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
艾万拓威达优尔国际贸易(上海)有限公司400-821-8006 · [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]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…