Mitomycin B
Grundinformationen
- CAS
4055-40-7- Standard-SMILES
COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C- InChIKey
UZUUQCBCWDBYCG-DQRAMIIBSA-N- Summenformel
- C16H19N3O6
- Durchschnittliche Molmasse
- 349,34 g/mol
- Monoisotopische Masse
- 349,12738533
Überblick
Mitomycin B is a member of the family of mitomycins that exhibits antibiotic and antitumour properties. It has a role as an antimicrobial agent and an antineoplastic agent. It is a mitomycin and an ether. It is a conjugate acid of a mitomycin B(1-).
Namen und Bezeichner
- Bevorzugter Name
- Mitomycin B
- IUPAC
- [(4S,6S,7R,8R)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- Englischer Name
- Mitomycin B.
- Summenformel
- C16H19N3O6
- Molmasse
- 349.34
Namen und Synonyme
MITOMYCIN B4055-40-7HSDB 3419VT1IGL3D7V[(4S,6S,7R,8R)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamateCHEBI:85416DTXSID001318185Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, 8-carbamateNSC75987((4S,6S,7R,8R)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo(7.4.0.02,7.04,6)trideca-1(9),11-dien-8-yl)methyl carbamateRefChem:159094DTXCID301747973
Weitere Namen anzeigen
Mitomycin B.Mitomycin Impurity 3(Mitomycin EP Impurity C)(Mitomycin B)(1aS)-8α-[[(Aminocarbonyl)oxy]methyl]-1,1aα,2,8,8aα,8bα-hexahydro-1,5-dimethyl-8a-hydroxy-6-methoxyazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dioneAzirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-, (1aS,8R,8aR,8bS)-[1aS-(1aalpha,8alpha,8aalpha,8balpha)]-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 122 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 787
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Bacterial Toxins
Color/FormVIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE
SolubilitySOL IN WATER & MANY ORGANIC SOLVENTS; PRACTICALLY INSOL IN XYLENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, PETROLEUM ETHER, LIGROIN, CYCLOHEXANE, BENZENE, TOLUENE, TRICHLOROETHYLENE, NITROBENZENE.
Physical DescriptionViolet solid; [Merck Index]
Other Experimental PropertiesDECOMP AT 182-184 °C
Physikochemische Eigenschaften
- Siedepunkt
- 483.53 °C · 483.53°C (rough estimate)
- Dichte
- 1.2205 · 1.2205 (rough estimate)
- Brechungsindex
- 1.65 · 1.6500 (estimate)
- pka
- 11.41 · 11.41±0.70(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Hazards SummaryEmergency treatment: Mitomycin C; [HSDB] See Mitomycin C.
Sicherheit und Schutzausrüstung
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.
Sicherheitsdaten
- Toxizität
- LD50 i.v. in mice: 10 mg/kg (Hata, 1956); also reported as 3 mg/kg (Kinoshita)
- Giftige Stoffe Daten
- 4055-40-7(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
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/
Anwendungen
VerwendenAs an antitumor antibiotic, Mitomycin B is used as antineoplastic.
Anbieter14 Anbieter
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