미토마이신A
Mitomycin A
기본 정보
- CAS
4055-39-4- 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
개요
Mitomycin A is a member of the family of mitomycins that exhibits antibiotic and antitumour properties as well as a high level of toxicity. It has a role as an alkylating agent, a toxin, an antimicrobial agent and an antineoplastic agent. It is a mitomycin and an ether. It is a conjugate acid of a mitomycin A(1-).
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
- 현지명
- 미토마이신A
- 영어명
- Mitomycin A
- 분자식
- C16H19N3O6
- 분자량
- 349.34
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
미토마이신AMitomycin EP Impurity B (Mitomycin A)Mitomycin Impurity 2(Mitomycin EP Impurity B)(Mitomycin A）[(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2,3,4]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-octahydroazirino[2,’3’:3,4]pyrrolo[1,2-a]indol-8-yl]methyl Carbamate(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 130 Ų
- 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
Chemical ClassesBiological Agents -> Bacterial Toxins
Color/FormRED-VIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE
Solubility
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
물리화학적 성질
- 녹는점
- 159 · 159-1610C (dec)
- 끓는 점
- 483.53 °C · 483.53°C (rough estimate)
- 밀도
- 1.2205 · 1.2205 (rough estimate)
- 굴절률
- 1.65 · 1.6500 (estimate)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- Chloroform: Slightly soluble; Methanol: Slightly soluble
- 물리적 상태
- 고체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Hazards SummaryEmergency treatment: Mitomycin C; [HSDB] See Mitomycin C.
안전 및 보호
Disposal Methods
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.
안전 데이터
- 독성
- LD50 i.v. in mice: 2 mg/kg (Hata, 1956; Kinoshita)
- 유해 물질 데이터
- 4055-39-4(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
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/
응용 분야
용도The 6-methoxy analog of Mitomycin C. An antitumor antibiotic
상·하류 제품 정보
상류 원료
관련 반응
83건
화합물 노트
불러오는 중…