Mitomycin A

HCID 19972CAS 4055-39-4

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Grundinformationen

Standard-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
Summenformel: C16H19N3O6
Durchschnittliche Molmasse: 349,34 g/mol
Monoisotopische Masse: 349,12738533

Namen und Bezeichner

Bevorzugter Name: 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

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 130 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 5
Schwere Atome: 25
Formalladung: 0
Komplexität: 772

Experimentelle und physikochemische Eigenschaften

Color/FormRED-VIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE

Solubility · 2 Einträge

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

Sicherheit und Regulatorisches

Gefahrenhinweise

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

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

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.

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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/