ML 145, Tocris Bioscience™

Description

GPR35 antagonist

Selective antagonist for the GPR35 orphan receptor GPCR (IC50 = 20.1 nM). Over 1000-fold more selective for GPR35 compared to GPR55 antagonists.

Specifications

Chemical Identifiers

• CAS: 1164500-72-4
• Molecular Formula: C24H22N2O5S2
• Molecular Weight (g/mol): 482.569
• InChI Key: COFMYJWNXSFLKQ-QIROLCGISA-N
• Synonym: 2-hydroxy-4-4-5-2-methyl-3-phenyl-2-propen-1-ylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl butanoyl amino benzoic acid, 2-hydroxy-4-4-5z-5-e-2-methyl-3-phenylprop-2-enylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl butanoylamino benzoic acid, 2-hydroxy-4-4-5z-5-2e-2-methyl-3-phenylprop-2-en-1-ylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl butanoyl amino benzoic acid, 2-hydroxy-4-4-5z-5-e-2-methyl-3-phenylprop-2-enylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl-1-oxobutyl amino benzoic acid, 2-hydroxy-4-4-5z-4-keto-5-e-2-methyl-3-phenyl-prop-2-enylidene-2-thioxo-thiazolidin-3-yl butanoylamino benzoic acid, 2-hydroxy-4-4-5z-5-2e-2-methyl-3-phenylprop-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl butanamido benzoic acid, 4-4-5z-5-e-2-methyl-3-phenyl-prop-2-enylidene-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl butanoylamino-2-oxidanyl-benzoic acid
• PubChem CID: 2286812
• IUPAC Name: 2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
• SMILES: CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

• Quantity: 10 mg
• Formula Weight: 482.57
• Percent Purity: >98%
• Chemical Name or Material: ML 145