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Aclacinomycin

CAT: 0931-T23617Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23617Size:25 mg
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CAS Number
66676-88-8
Target
Others
Related Pathways
Others
Bioactivity
Aclacinomycin A is an anthracycline drug. It sensitizes K562 chronic myeloid leukemia cells to imatinib through p38MAPK-mediated erythroid differentiation. It is used in the treatment of cancer.
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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

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.

CAS Number66676-88-8
PubChem CID149755
IUPAC Namemethyl (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
Molecular FormulaC30H35NO10
Molecular Weight569.6
XLogP3.1
Topological Polar Surface Area163
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1020
SMILES
CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O
InChI
InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1
InChIKey
LJZPVWKMAYDYAS-QKKPTTNWSA-N
Chemical Structure
2D Structure
2D structure of 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
CAS: 66676-88-8
CID: 149755
Formula: C30H35NO10
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass569.22609631
Monoisotopic Mass569.22609631
Topological Polar Surface Area163 Ų
Heavy Atom Count41
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N2306-01Aclacinomycin A
MBS5773382Aclacinomycin
A14910-10Aclacinomycin A 10mg
C04659Aclacinomycin A hydrochloride
257194-01Aclacinomycin HCl
440910-01Aclarubicin (Aclacinomycin A)
abx283139-01Aclacinomycin A HCl
A14910-5Aclacinomycin A 5mg
A14910-1Aclacinomycin A 1mg
HY-N2306AAclacinomycin A (hydrochloride)

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