7-demethylmitomycin A

HCID 11727393

Grundinformationen

CAS
7041-61-4
Standard-SMILES
CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)C(=O)C3=O)N1C[C@@H]1N[C@@H]12
InChIKey
WKYZYLKGCNBEMG-WUDYKRTCSA-N
Summenformel
C15H17N3O6
Durchschnittliche Molmasse
335,31 g/mol

Überblick

7-demethylmitomycin A is a member of the family of mitomycins that is mitomycin A in which the methoxy group on the quinone ring is replaced by a hydroxy group. It is a mitomycin and an organic heterotetracyclic compound. It is a conjugate acid of a 7-demethylmitomycin A(1-).

Namen und Bezeichner

Bevorzugter Name
7-demethylmitomycin A
IUPAC
[(4S,6S,7R,8S)-13-hydroxy-7-methoxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl]methyl carbamate
Englischer Name
Nsc123105
Summenformel
C15H17N3O6
Molmasse
335.31

Namen und Synonyme

7-demethylmitomycin AHydroxymitomycin C7-Hydroxy-9a-methoxymitosane7-Demethyl Mitomycin A7041-61-46-demethylmitomycin AHydroxymitomycinC7-Hydroxy MitomycinBRN 57737137-O-Demethylmitomycin A7-hydroxy9a-methoxymitosane7 -hydroxy-9a-methoxymitosane
Weitere Namen anzeigen
Nsc1231057-HydroxymitosaneMitomycin deriv T-9Mitomycin impurity 10Mitomycin A 7-DemethylMitomycin Impurity 5(7-Hydroxy Mitomycin)Azirino[2',3':3,4]pyrrolo[1,2-.alpha.]indole-4,7-dione, 1,1A,2,8,8A,8B-hexahydro-6-hydroxy-8-(hydroxymethyl)-8A-methoxy-5-methyl-, 8-carbamateAzirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6-hydroxy-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-
CHEBI:85419WKYZYLKGCNBEMG-WUDYKRTCSA-NNSC 123105C21163Q27158564[(1aS,8S,8aR,8bS)-6-hydroxy-8a-methoxy-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 carbamate[(4S,6S,7R,8S)-13-hydroxy-7-methoxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl]methyl carbamate7-Demethyl Mitomycin A; (1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6-hydroxy-8a-methoxy-5-methyl-azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-hydroxy-8-(hydroxymethyl)

Datenbank-Bezeichner

CAS
7041-61-4
PubChem CID
11727393
ChEBI
CHEBI:85419
Nikkaji
J389.051A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,8
Polarare Oberfläche (TPSA)
141 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
4
Schwere Atome
24

Physikochemische Eigenschaften

Siedepunkt
591.4 · 591.4±50.0 °C(Predicted)
Dichte
1.61 · 1.61±0.1 g/cm3(Predicted)
pka
4.5 · 4.50±1.00(Predicted)

Chemie und Industrie

Anwendungen

Verwenden7-Demethyl Mitomycin A is a derivative of Mitomycin A (M371890), which is analog of Mitomycin C (M371900) that is antitumor antibiotic.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter4 Anbieter

深圳市简一生物科技有限公司0755-84826604 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
梯尔希(南京)药物研发有限公司18012923235 18012923235 · [email protected]

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