Aclarubicin

Aclarubicin
Clinical data
AHFS/Drugs.com	International Drug Names
Routes of; administration	IV
ATC code	L01DB04 (WHO)
Legal status
Legal status	℞ (Prescription only);
Identifiers
	Systematic (IUPAC) name: (1S,2S,4R)-Methyl 4-(((2S,5R,6R)-4-(dimethylamino)-5-(((1S,3R,4S)-3-hydroxy-5-methyl-4-(((2S,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
CAS Number	57576-44-0
PubChem (CID)	42474
ChemSpider	1931
UNII	74KXF8I502
KEGG	D02756
ChEBI	CHEBI:74619
ChEMBL	CHEMBL502620
Chemical and physical data
Formula	C42H53NO15
Molar mass	811.86 g/mol
3D model (Jmol)	Interactive image
Melting point	151 to 153 °C (304 to 307 °F) (decomposes)
	SMILES CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O ;
	InChI InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3 ; Key:USZYSDMBJDPRIF-UHFFFAOYSA-N ;
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Aclarubicin (INN) or aclacinomycin A^[1] is an anthracycline drug^[2] that is used in the treatment of cancer. Soil bacteria Streptomyces galilaeus can produce aclarubicin. It can induce histone eviction from chromatin upon intercalation.^[3]^[4]

References[edit]

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Clinical data

AHFS/Drugs.com	International Drug Names
Routes of administration	IV
ATC code	L01DB04 (WHO)
Legal status
Legal status	℞ (Prescription only)
Identifiers
Systematic (IUPAC) name: (1S,2S,4R)-Methyl 4-(((2S,5R,6R)-4-(dimethylamino)-5-(((1S,3R,4S)-3-hydroxy-5-methyl-4-(((2S,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
CAS Number	57576-44-0^N
PubChem (CID)	42474
ChemSpider	1931^Y
UNII	74KXF8I502^Y
KEGG	D02756^Y
ChEBI	CHEBI:74619^N
ChEMBL	CHEMBL502620^N
Chemical and physical data
Formula	C₄₂H₅₃NO₁₅
Molar mass	811.86 g/mol
3D model (Jmol)	Interactive image
Melting point	151 to 153 °C (304 to 307 °F) (decomposes)
SMILES CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O
InChI InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3^Y Key:USZYSDMBJDPRIF-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)