Grundinformationen
- Standard-SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC- InChIKey
LJZPVWKMAYDYAS-QKKPTTNWSA-N- Summenformel
- C30H35NO10
- Durchschnittliche Molmasse
- 569,6 g/mol
- Monoisotopische Masse
- 569,22609632
Überblick
Aclacinomycin T is an anthracycline that is aklavinone having an alpha-L-rhodosaminyl residue attached at position 4 via a glycosidic linkage. It has a role as a metabolite, an antimicrobial agent and an antineoplastic agent. It is a methyl ester, a polyketide, a tertiary alcohol, a member of phenols, a deoxy hexoside, an aminoglycoside, an anthracycline, a member of tetracenequinones and a monosaccharide derivative. It is functionally related to an aklavinone. It is a conjugate base of an aclacinomycin T(1+). It is a tautomer of an aclacinomycin T zwitterion.
Namen und Bezeichner
- Bevorzugter Name
- Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenecarboxylate
- IUPAC
- methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Namen und Synonyme
aklavinAclacinomycin T60504-57-6DoxypyrromycinAntibiotic MA 144T1Rhodosaminyl-aklavinoneMA 144T1NSC 100290CHEBI:74351DTXSID30209246methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylateMethyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenecarboxylate
Weitere Namen anzeigen
methyl (1R,2R,4S)-4-((2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylateRefChem:925606DTXCID5013173711002-83-8(1R,2R,4S)-4-((2R,4S,5S,6S)-4-(dimethylazaniumyl)-5-hydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,7-dihydroxy-1-methoxycarbonyl-6,11-dioxo-3,4-dihydro-1H-tetracen-5-olateAclacinomycin1-DeoxypyrromycinAclacinomycins
Datenbank-Bezeichner
- CAS
60504-57-6、66676-88-8- PubChem CID
- 149755
- DTXSID
DTXSID30209246- ChEMBL
CHEMBL3040622- ChEBI
CHEBI:74351- UNII
- T87WN25BNW
- Nikkaji
- J17.925F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 163 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 1.020
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Zugehörige Reaktionen
2
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