InterPAD - DETAILS

salinomycin, Procoxacin, 53003-10-4, Coxistac, Bio-cox, Salinomicina, Salinomycine, Salinomycinum, UNII-62UXS86T64, HSDB 7032, 62UXS86T64, K 364, AHR 3096, EINECS 258-290-1, Salinomycine [INN-French], Salinomycinum [INN-Latin], Salinomicina [INN-Spanish], DTXSID4048486, CHEBI:80025, Salinomycin (INN), SALINOMYCIN [INN], Salinomycine (INN-French), Salinomycinum (INN-Latin), Salinomicina (INN-Spanish), Salinomycin [INN:BAN], Procoxacin (TN), Salinomycin Mycelia, 1,6,8-Trioxadispiro[4.1.5.3]pentadecane, salinomycin deriv.; Antibiotic 61477; Coxistac; Stereoisomer of a-ethyl-6-[5-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-5-methyl-2H-pyran-2-acetic acid; Salinomycin, Salinomycinum (Latin), SALINOMYCIN [MI], SALINOMYCIN [JAN], SALINOMYCIN [HSDB], SCHEMBL36890, CHEMBL1208572, DTXCID4028460, GTPL11088, BDBM430647, NSC757437, s2352, s8129, Salinomycin (from Streptomyces albus), AKOS030526154, CCG-208535, CS-1299, DB11544, NSC-757437, BS-17023, E716, HY-15597, FT-0630657, NS00007817, D08502, A829344, Q411909, J-524236, SR-05000002207-3, Salinomycin, from Streptomyces albus, >=98% (HPLC), (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5?.3?]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid, (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid, (alphaR,2R,5S,6R)-alpha-ethyl-6-((1S,2S,3S,5R)-5-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxydispiro(4.1.5.3)-pentadec-13-en-9-yl)-2-hydroxy-1,3-dimethyl-4-oxoheptyl)-tetrahydro-5-methyl-2H-pyran-2-acetic acid, (R)-2-((2R,5S,6R)-6-((2S,3S,4S,6R)-6-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoic acid, (R)-2-((2R,5S,6R)-6-((2S,3S,4S,6R)-6-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoicacid, sodium 2-[6-[5-[3-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-5-methyl-tetrahydropyran-2-yl]butanoate

Name	Salinomycin
PubChem CID	3085092
Molecular Weight	751.0g/mol
Synonyms	salinomycin, Procoxacin, 53003-10-4, Coxistac, Bio-cox, Salinomicina, Salinomycine, Salinomycinum, UNII-62UXS86T64, HSDB 7032, 62UXS86T64, K 364, AHR 3096, EINECS 258-290-1, Salinomycine [INN-French], Salinomycinum [INN-Latin], Salinomicina [INN-Spanish], DTXSID4048486, CHEBI:80025, Salinomycin (INN), SALINOMYCIN [INN], Salinomycine (INN-French), Salinomycinum (INN-Latin), Salinomicina (INN-Spanish), Salinomycin [INN:BAN], Procoxacin (TN), Salinomycin Mycelia, 1,6,8-Trioxadispiro[4.1.5.3]pentadecane, salinomycin deriv.; Antibiotic 61477; Coxistac; Stereoisomer of a-ethyl-6-[5-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-5-methyl-2H-pyran-2-acetic acid; Salinomycin, Salinomycinum (Latin), SALINOMYCIN [MI], SALINOMYCIN [JAN], SALINOMYCIN [HSDB], SCHEMBL36890, CHEMBL1208572, DTXCID4028460, GTPL11088, BDBM430647, NSC757437, s2352, s8129, Salinomycin (from Streptomyces albus), AKOS030526154, CCG-208535, CS-1299, DB11544, NSC-757437, BS-17023, E716, HY-15597, FT-0630657, NS00007817, D08502, A829344, Q411909, J-524236, SR-05000002207-3, Salinomycin, from Streptomyces albus, >=98% (HPLC), (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5?.3?]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid, (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid, (alphaR,2R,5S,6R)-alpha-ethyl-6-((1S,2S,3S,5R)-5-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxydispiro(4.1.5.3)-pentadec-13-en-9-yl)-2-hydroxy-1,3-dimethyl-4-oxoheptyl)-tetrahydro-5-methyl-2H-pyran-2-acetic acid, (R)-2-((2R,5S,6R)-6-((2S,3S,4S,6R)-6-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoic acid, (R)-2-((2R,5S,6R)-6-((2S,3S,4S,6R)-6-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoicacid, sodium 2-[6-[5-[3-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-5-methyl-tetrahydropyran-2-yl]butanoate
Drug Type	Small molecule
Formula	C₄₂H₇₀O₁₁
SMILES	CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O
InChI	1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
InChIKey	KQXDHUJYNAXLNZ-XQSDOZFQSA-N
CAS Number	53003-10-4
ChEMBL ID	CHEMBL1208572
ChEBI ID	CHEBI:80025
Drug Bank ID	DB11544
KEGG ID	C15690
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Pair Name	All-trans retinoic acid, Salinomycin
Partner Name	All-trans-retinoic acid
Disease Info	[ICD-11: 2A60.Z]	Acute myeloid leukemia		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	BIRC5	hsa332
	Down-regulation	Expression	CASP3	hsa836
	Down-regulation	Expression	CASP7	hsa840
	Down-regulation	Expression	CCND1	hsa595
	Down-regulation	Expression	CDC25A	hsa993
	Down-regulation	Expression	CTNNB1	hsa1499
	Down-regulation	Phosphorylation	GSK3B	hsa2932
	Down-regulation	Expression	LRP6	hsa4040
	Down-regulation	Expression	MYC	hsa4609
Result	S+RA induced differentiation by β-catenin-inhibition-mediated up-regulation of C/EBPs and PU.1 and suppression of c-Myc. S+RA triggered apoptosis through β-catenin-inhibition-regulated ΔΨm collapse and caspase-3/7 activation. Taken together, our findings may provide novel therapeutic strategies for AML patients by targeting the WNT/β-catenin pathway.