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.

Product information

CAS Number: 2328109-05-1

Molecular Weight: 408.51

Formula: C23H24N2O3S

Chemical Name: 2-methyl-4-{[(2Z,5Z)-3-(2-methylphenyl)-4-oxo-2-(propylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl acetate

Smiles: CCC/N=C1\S/C(=C\C2C=C(C)C(=CC=2)OC(C)=O)/C(=O)N\1C1=CC=CC=C1C

InChiKey: KZNIDEPMBGHFQK-PZUCIDFCSA-N

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-

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

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

References:

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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