미토마이신A
미토마이신A · Mitomycin EP Impurity B · Mitomycin 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 · ((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(WXG00529)
식별자 및 물리적 특성
| CAS No. | 4055-39-4 |
|---|---|
| 분자식 | C16H19N3O6 |
| 평균 분자량 | 349.34 g/mol |
| 단동위원소 질량 | 349.12738533 g/mol |
| 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 |
| PubChem CID | 19972 |
| ChEMBL | CHEMBL298359 |
| ChEBI | CHEBI:85412 |
| DTXSID | DTXSID201318131 |
| 현지명 | 미토마이신A |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 130 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 25 |
| 형식 전하 | 0 |
| 복잡도 | 772 |
| Color/Form | RED-VIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE |
| 용해도 | Freely soluble in organic solventsSOL IN WATER, BENZENE, TOLUENE, TRICHLOROETHYLENE, NITROBENZENE & MANY ORG SOLVENTSPRACTICALLY INSOL IN XYLENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, PETROLEUM ETHER, LIBROIN, CYCLOHEXANEChloroform: Slightly solubleMethanol: Slightly soluble |
| Physical Description | Red-violet solid[Merck Index] |
| Other Experimental Properties | DECOMP AT 159-161 °C |
| 녹는점 | 159-1610C (dec) |
| 끓는 점 | 483.53°C (rough estimate) |
| 밀도 | 1.2205 (rough estimate) |
| 굴절률 | 1.6500 (estimate) |
| 저장 조건 | -20°C Freezer |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 13.27±0.50(Predicted) |
| 색상 | Purple to purplish red |
화학적 성질
Red-Violet Crystals
안전 및 규제
| 유해성 요약 | Emergency treatment: Mitomycin C[HSDB] See Mitomycin C. |
|---|---|
| 처리 방법 | 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. |
| 독성 | LD50 i.v. in mice: 2 mg/kg (Hata, 1956Kinoshita) |
| 유해 물질 데이터 | 4055-39-4(Hazardous Substances Data) |
용도
용도
The 6-methoxy analog of Mitomycin C. An antitumor antibiotic