Synonym: 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
CAS Number: 264233-05-8
Empirical Formula (Hill Notation): C17H19F2N5O2S
Molecular Weight: 395.43
MDL Number: MFCD00111058
Linear Formula: C17H19F2N5O2S
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
white to beige |
| form |
powder |
| 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 |
| Quality Level |
100  |
| SMILES string |
COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NNC(=S)NC(C)(C)C |
| solubility |
DMSO: 15 mg/mL (clear solution) |
| storage condition |
protect from light |
| storage temp. |
−20°C |
| 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. |
| Biochem/physiol Actions: |
ML194 is an antagonist of GPR35. |
| 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 . |
| Features and Benefits: |
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 . |
| Packaging: |
5, 25 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |
