基本情報
- CAS
95056-36-3- 標準SMILES
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSc4ccc([N+](=O)[O-])cc4)C3=O)N1C[C@@H]1N[C@@H]12- InChIKey
ZNDJOCJUBZZAMN-USYHLRJESA-N- 分子式
- C23H25N5O7S2
- 平均分子量
- 547.6 g/mol
- 単同位体質量
- 547.1195405
概要
BMY-25067 is an organic disulfide that is mitomycin C in which the amino group at position 7 is replaced by a {2-[(4-nitrophenyl)disulfanyl]ethyl}amino group. It is a derivative of mitomycin C with activity against a range of tumour cell lines and xenografts. It has a role as an antineoplastic agent. It is an organic disulfide and a C-nitro compound. It is functionally related to a mitomycin C.
名称と識別子
- 優先名称
- N-7-(2-(nitrophenyldithio)ethyl)mitomycin C
- IUPAC
- [(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[2-[(4-nitrophenyl)disulfanyl]ethylamino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- 英語名
- N-7-(2-(Nitrophenyldithio)ethyl)mitomycin C
- 分子式
- C23H25N5O7S2
- 分子量
- 547.6
名称と別名
95056-36-3N-7-(2-(Nitrophenyldithio)ethyl)mitomycin CBmy-2506727O4QKT84GDTXSID90241743[(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[2-[(4-nitrophenyl)disulfanyl]ethylamino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate((4S,6S,7R,8S)-7-methoxy-12-methyl-11-(2-((4-nitrophenyl)disulfanyl)ethylamino)-10,13-dioxo-2,5-diazatetracyclo(7.4.0.02,7.04,6)trideca-1(9),11-dien-8-yl)methyl carbamateRefChem:162506DTXCID20164234Bms 181174BMS-181174Bmy 25067
名称をさらに表示
PubChem ID: 56855Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-[(4-nitrophenyl)dithio]ethyl]amino]-, (1aS,8S,8aR,8bS)-[1aS-(1aalpha,8beta,8aalpha,8balpha)]-8-(Carbamoyloxymethyl)-8a-methoxy-5-methyl-6-[2-(4-nitrophenyldisulfanyl)ethylamino]-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
[(1aS,8S,8aR,8bS)-8a-methoxy-5-methyl-6-({2-[(4-nitrophenyl)disulfanyl]ethyl}amino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamateBMS181174UNII-27O4QKT84GSCHEMBL29406015CHEBI:195316BMY25067AN63363(1AS,8S,8AR,8BS)-8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-6-((2-((4-NITROPHENYL)DITHIO)ETHYL)AMINO)AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 229 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 12
- 回転可能結合数
- 10
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 1,080
化学と産業
応用分野
使用BMY-25067 is used as an investigational drug.
サプライヤー5 社
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
BOC Sciences16314854226 · [email protected]
重庆卡兰医药有限公司[email protected]
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