Basic information
- CAS
66676-88-8- Standard SMILES
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC- InChIKey
LJZPVWKMAYDYAS-UHFFFAOYSA-N- Molecular formula
- C30H35NO10
- Average molar mass
- 569.6 g/mol
- Monoisotopic mass
- 569.22609631
Overview
Aklavine is under investigation in clinical trial NCT03026842 (Decitabine Versus Conventional Chemotherapy for Maintenance Therapy of Acute Myeloid Leukemia With T(8;21)).
Names & identifiers
- Preferred name
- Aklavine
- IUPAC
- methyl 4-[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
- English name
- aclacinomycin
- Molecular weight
- 0
Names & synonyms
aklavineSiwenmycinAclacinomycin,Siwenmycin
Database identifiers
- CAS
66676-88-8- PubChem CID
- 2074
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- FDA UNII
- 87 WN25BNW · T87WN25BNW
Chemistry & industry
Suppliers6 total
深圳市恩赞生物医药有限公司0755-25325458 13602565027 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海临卡生物科技有限公司18301977208 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: 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 an antimicrobial agent, an antineoplastic agent and a metabolite. It is an anthracycline, an aminoglycoside, a deoxy hexoside, a monosaccharide derivative, a member of tetracenequinones, a methyl ester, a polyketide, a member of phenols and a tertiary alcohol. 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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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