SML0423

ML194

≥98% (HPLC)

• Synonym(s): 1-(2,4-Difluorophenyl)-5-[[2-[[(1,1-dimethylehyl)amino]thioxomethyl]hydrazinylidene]methyl]-1H-pyrazole-4-carboxylic acid methyl ester, CID-9581011, CID9581011, Methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
• Empirical Formula (Hill Notation): C₁₇H₁₉F₂N₅O₂S
• CAS Number: 264233-05-8
• Molecular Weight: 395.43
• MDL number: MFCD00111058
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825418
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• storage condition: protect from light
• color: white to beige
• solubility: DMSO: 15 mg/mL (clear solution)
• storage temp.: −20°C
• SMILES string: COC(=O)c1cnn(-c2ccc(F)cc2F)c1\C=N\NC(=S)NC(C)(C)C
• InChI: 1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+
• InChI key: CYNLZIBKERMMOA-AWQFTUOYSA-N

Description

Biochem/physiol Actions

ML194 (CID9581011) is an antagonist of GPR35, a GPRC receptor expressed in nervous system tissue, in the GI tract particularly in pancreas and small intestine, followed by colon, spleen, and immune cells, and also expressed in gastric carcinomas. GPR35 is being investigated for potential therapeutic importance in a variety of areas including pain, hypertension, cancer, diabetes and asthma. ML194 is more membrane penetrant and more potent than earlier synthetic antagonists, with an IC₅₀ of 160nM. ML194 was also found to rescue the cell-surface expression of mutant GPR35 receptors, likely acting as a pharmacological chaperone to alter the misfolded receptor structure.

Features and Benefits

This compound is a featured product for Cyclic Nucleotide research. Click here to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

This compound is featured on the G Proteins (Heterotrimeric) page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable