| Identification | Back Directory | [Name]
4-Thiazolidinone, 5-[[4-(acetyloxy)-3-methylphenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-, (2Z,5Z)- | [CAS]
2328109-05-1 | [Synonyms]
S1PR1 modulator 1
S-1PR1 modulator 1,S1PR1 modulator 1,inhibit,LPL Receptor,Lysophospholipid Receptor,Inhibitor
4-Thiazolidinone, 5-[[4-(acetyloxy)-3-methylphenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-, (2Z,5Z)- | [Molecular Formula]
C23H24N2O3S | [MDL Number]
MFCD32062833 | [MOL File]
2328109-05-1.mol | [Molecular Weight]
408.51 |
| Chemical Properties | Back Directory | [Boiling point ]
542.1±60.0 °C(Predicted) | [density ]
1.18±0.1 g/cm3(Predicted) | [solubility ]
DMF: 10 mg/ml; DMF:PBS (pH 7.2) (1:2): 0.3 mg/ml; DMSO: 5 mg/ml; Ethanol: 0.3 mg/ml | [form ]
A crystalline solid | [pka]
0.08±0.20(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Description]
CAY10739 is a soft-drug agonist of the sphingosine-1-phosphate receptor 1 (S1P1; IC50 = 25.12 nM in a β-arrestin recruitment assay) that was designed to prevent systemic effects following topical application.1 It is selective for S1P1 over S1P2, S1P3, and S1P4 (IC50s = 1,000, >10,000, >10,000 nM, respectively, in a β-arrestin recruitment assay). In human S9 skin subcellular fractions, an ester group that protects an unstable phenol group is cleaved to release the active soft drug. The active soft drug and its nonenzymatically formed isomers are rapidly metabolized in isolated human hepatocytes. | [Uses]
S1PR1 modulator 1 is a selective S1PR1 inhibitor, with a pIC50 of 7.6, with >40- and >80-fold selectivity, over the other S1PR isoforms S1PR2/3/4[1]. | [References]
1. Bell, M., Foley, D., Naylor, C., et al. Discovery of soft-drug topical tool modulators of sphingosine-1-phosphate receptor 1 (S1PR1) ACS Med. Chem. Lett. 10(3),341-347(2019). |
|
|