S1PR1 modulator 1

• CAT Number: I019148
• CAS Number: 2328109-05-1
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.51
• Purity: ≥95%
• Synonyms: [2-methyl-4-[(Z)-[3-(2-methylphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
• InChI: InChI=1S/C23H24N2O3S/c1-5-12-24-23-25(19-9-7-6-8-15(19)2)22(27)21(29-23)14-18-10-11-20(16(3)13-18)28-17(4)26/h6-11,13-14H,5,12H2,1-4H3/b21-14-,24-23?
• InChIKey: KZNIDEPMBGHFQK-AWAAXKIWSA-N
• SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C)C)S1)C3=CC=CC=C3C

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].
S1PR1 modulator 1 (Compound 10a; (Z,Z)-10a) is selective at S1PR1 over S1PR3 (pIC50, 6), S1PR2 and S1PR4 (pIC50s, <5)[1].

Reference

[1]. Bell M, et al. Discovery of Soft-Drug Topical Tool Modulators of Sphingosine-1-phosphate Receptor 1 (S1PR1). ACS Med Chem Lett. 2019 Feb 14;10(3):341-347.
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