For research use only. Not for therapeutic Use.
Etrasimod arginine (CAS 1206123-97-8) is a pharmacologically active form of etrasimod, a selective sphingosine-1-phosphate (S1P) receptor modulator. S1P receptors play a crucial role in regulating immune responses. By binding to these receptors, etrasimod arginine modulates immune cell trafficking, particularly lymphocytes, which can be beneficial in treating autoimmune conditions. The arginine salt form is designed for enhanced pharmaceutical stability and bioavailability.
| Catalog Number | I048005 |
| CAS Number | 1206123-97-8 |
| Synonyms | APD334 L-Arginine; Velsipity; MXE5EMA09L |
| Molecular Formula | C32H40F3N5O5 |
| Purity | 98% |
| Target | S1PR4/5/1 |
| Target Protein | GVPVVOSNDUAUKM-BPGOJFKZSA-N |
| Appearance | Solid |
| IUPAC Name | (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid |
| InChI | InChI=1S/C26H26F3NO3.C6H14N4O2/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23;7-4(5(11)12)2-1-3-10-6(8)9/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t17-;4-/m10/s1 |
| InChIKey | GVPVVOSNDUAUKM-BPGOJFKZSA-N |
| SMILES | C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CCC5CC(=O)O)C(F)(F)F.C(CC(C(=O)O)N)CN=C(N)N |
