Mitomycin A

HCID 19972CAS 4055-39-4

基本情報

標準SMILES: COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21
InChIKey: HYFMSAFINFJTFH-NGSRAFSJSA-N
分子式: C16H19N3O6
平均分子量: 349.34 g/mol
単同位体質量: 349.12738533

名称と識別子

優先名称: Mitomycin A
IUPAC: [(4S,6S,7R,8S)-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

名称と別名

Mitomycin A4055-39-4HSDB 3418NSC 7598687TMG6FJHVNSC-75986CHEBI:85412DTXSID201318131Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6,8a-dimethoxy-5-methyl-, carbamate (ester)[(4S,6S,7R,8S)-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamateNSC75986((4S,6S,7R,8S)-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo(7.4.0.02,7.04,6)trideca-1(9),11-dien-8-yl)methyl carbamate

名称をさらに表示

RefChem:159093DTXCID201747920Mitomycin EP Impurity BMitomycinA((1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate[(1as,8s,8ar,8bs)-6,8a-Dimethoxy-5-Methyl-4,7-Dioxo-1,1a,2,4,7,8,8a,8b-Octahydroazireno[2',3':3,4]pyrrolo[1,2-A]indol-8-Yl]methyl CarbamateUNII-87TMG6FJHV[(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate

データベース識別子

CAS: 4055-39-4
PubChem CID: 19972
DTXSID: DTXSID201318131
ChEMBL: CHEMBL298359
ChEBI: CHEBI:85412
UNII: 87TMG6FJHV
Nikkaji: J62.411J

物性

構造計算による物性

XLogP: 0.3
極性表面積: 130 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 5
重原子数: 25
形式電荷: 0
複雑度: 772

実験および物理化学的性質

Color/FormRED-VIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE

Solubility · 2 件

Freely soluble in organic solvents

SOL IN WATER, BENZENE, TOLUENE, TRICHLOROETHYLENE, NITROBENZENE & MANY ORG SOLVENTS; PRACTICALLY INSOL IN XYLENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, PETROLEUM ETHER, LIBROIN, CYCLOHEXANE

Physical DescriptionRed-violet solid; [Merck Index]

Other Experimental PropertiesDECOMP AT 159-161 °C

安全と法規制

危険有害性情報

Hazards SummaryEmergency treatment: Mitomycin C; [HSDB] See Mitomycin C.

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

化学と産業

用途と製造

Uses · 2 件

Mitomycins are antitumor antibiotics made by Streptomyces caespitosus (griseovinaceseus); Mitomycin C is used as an antineoplastic drug; [Merck Index] Mitomycins: Used as DNA alkylating/cross-linking agents; [HSDB]

DNA alkylating/cross-linking agent /mitomycins/

Methods of ManufacturingYamamoto, Kenkyusho, Japan pat. 2898 (1956); Kenkyusho, Brit. pat. 830,874 (1960 to Kyowa); Gourevitch et al, U.S. pat. 3,042583 (1962 to Bristol-Myers) /production of the complex/