InterPAD - DETAILS

epalrestat, 82159-09-9, Kinedak, Epalrestatum, Epalrestat [INN], Ono 2235, Ono-2235, 2-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, Aldonil, Aldorin, Tanglin, 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, CHEMBL56337, 5-((1Z,2E)-2-Methyl-3-phenylpropenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, CHEBI:31539, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, MFCD00865484, 424DV0807X, {(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, Epalrestatum [Latin], ONO-2, {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid, ONO 2, Kinedak (TN), DTXSID1046479, ONO2235, UNII-424DV0807X, 2-((E)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, NCGC00164613-01, Epalrestat- Bio-X, 5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid, EPALRESTAT [MI], EPALRESTAT [JAN], Epalrestat (JP17/INN), EPALRESTAT [MART.], 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-, EPALRESTAT [WHO-DD], SCHEMBL49049, MLS000806985, GTPL11371, CHNUOJQWGUIOLD-NFZZJPOKSA-N, REGID_for_CID_1549120, HMS2747M09, HMS3887A17, BBL029067, BDBM50049730, s2035, STK337187, AKOS000274207, BCP9000649, CCG-267693, DB15293, NCGC00164613-08, NCGC00164613-12, AS-13345, BE164412, HY-66009, SMR000414799, BCP0726000053, E0906, FT-0630901, SW219826-1, D01688, AB00647195_06, Q5382029, [5-(2-Methyl-3-phenyl-allylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid, 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 5-((Z,E)-.BETA.-METHYLCINNAMYLIDENE)-4-OXO-2-THIOXO-3-THIAZOLIDINEACETIC ACID, (5-[(e)-2-methyl-3-phenyl-prop-2-en-(z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl)-acetic acid 82159-, 2-[(5Z)-5-[(E)-3-phenil-2-methylprop-2-enylidene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid

No.	Title	Href
1	Gedunin, A Neem Limonoid in Combination with Epalrestat Inhibits Cancer Hallmarks by Attenuating Aldose Reductase-Driven Oncogenic Signaling in SCC131 Oral Cancer Cells. Anticancer Agents Med Chem. 2018;18(14):2042-2052. doi: 10.2174/1871520618666180731093433.	`Click`

No.

Title

Href

Gedunin, A Neem Limonoid in Combination with Epalrestat Inhibits Cancer Hallmarks by Attenuating Aldose Reductase-Driven Oncogenic Signaling in SCC131 Oral Cancer Cells. Anticancer Agents Med Chem. 2018;18(14):2042-2052. doi: 10.2174/1871520618666180731093433.

Click

Name	Epalrestat
PubChem CID	1549120
Molecular Weight	319.4g/mol
Synonyms	epalrestat, 82159-09-9, Kinedak, Epalrestatum, Epalrestat [INN], Ono 2235, Ono-2235, 2-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, Aldonil, Aldorin, Tanglin, 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, CHEMBL56337, 5-((1Z,2E)-2-Methyl-3-phenylpropenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, CHEBI:31539, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, MFCD00865484, 424DV0807X, {(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, Epalrestatum [Latin], ONO-2, {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid, ONO 2, Kinedak (TN), DTXSID1046479, ONO2235, UNII-424DV0807X, 2-((E)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, NCGC00164613-01, Epalrestat- Bio-X, 5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid, EPALRESTAT [MI], EPALRESTAT [JAN], Epalrestat (JP17/INN), EPALRESTAT [MART.], 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-, EPALRESTAT [WHO-DD], SCHEMBL49049, MLS000806985, GTPL11371, CHNUOJQWGUIOLD-NFZZJPOKSA-N, REGID_for_CID_1549120, HMS2747M09, HMS3887A17, BBL029067, BDBM50049730, s2035, STK337187, AKOS000274207, BCP9000649, CCG-267693, DB15293, NCGC00164613-08, NCGC00164613-12, AS-13345, BE164412, HY-66009, SMR000414799, BCP0726000053, E0906, FT-0630901, SW219826-1, D01688, AB00647195_06, Q5382029, [5-(2-Methyl-3-phenyl-allylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid, 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 5-((Z,E)-.BETA.-METHYLCINNAMYLIDENE)-4-OXO-2-THIOXO-3-THIAZOLIDINEACETIC ACID, (5-[(e)-2-methyl-3-phenyl-prop-2-en-(z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl)-acetic acid 82159-, 2-[(5Z)-5-[(E)-3-phenil-2-methylprop-2-enylidene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid
Drug Type	Small molecule
Formula	C₁₅H₁₃NO₃S₂
SMILES	CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O
InChI	1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
InChIKey	CHNUOJQWGUIOLD-NFZZJPOKSA-N
CAS Number	82159-09-9
ChEMBL ID	CHEMBL56337
ChEBI ID	CHEBI:31539
TTD ID	D03KOZ
Drug Bank ID	DB15293
KEGG ID	D01688
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	Gedunin, Epalrestat
Partner Name	Gedunin
Disease Info	[ICD-11: 2B66.Z]	Oral cancer		Investigative
Biological Phenomena	Induction-->Blockade of cell cycle in the G1/S phase
Gene Regulation	Down-regulation	Expression	AKT1	hsa207
	Down-regulation	Expression	AR	hsa367
	Down-regulation	Expression	CHUK	hsa1147
	Down-regulation	Expression	MAPK1	hsa5594
	Down-regulation	Expression	NFKB1	hsa4790
	Down-regulation	Expression	ROS1	hsa6098
In Vitro Model	SCC-131	Rat squamous cell carcinoma	Rattus norvegicus (Rat)	CVCL_6726
Result	Our results provide compelling evidence that the combination of gedunin and epalrestat modulates expression of key oncogenic signalling kinases and transcription factors primarily by influencing phosphorylation and subcellular localisation. AR inhibitors such as gedunin and epalrestat are novel candidate agents for cancer prevention and therapy.