Mitomycin A

HCID 19972CAS 4055-39-4

기본 정보

표준 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
분자식: C16H19N3O6
평균 분자량: 349.34 g/mol
단동위원소 질량: 349.12738533

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 130 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 5
무거운 원자 수: 25
형식 전하: 0
복잡도: 772

실험 및 물리화학적 성질

Color/FormRED-VIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE

Solubility · 2건

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

안전 및 규제

유해성 정보

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

안전 및 보호

Disposal Methods · 1건

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.

화학 및 산업

용도 및 제조

Uses · 2건

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/