Products 1206123-37-6
CAS 1206123-37-6 appears in our catalog under these names: Etrasimod (APD334), Etrasimod/ 99.17% (existing batch purity), Etrasimod, Etrasimod 98%, Etrasimod, 98%, 98%. Offered by: Chemat Brand, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 250mg.
Etrasimod is an organic heterotricyclic compound that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by carboxymethyl and [4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy groups at positions 3R and 7, respectively. It is a potent and functional antagonist of the sphingosine-1-phosphate-1 (S1P1) receptor (IC50 = 1.88 nM in CHO cells). It has a role as a sphingosine-1-phosphate receptor 1 antagonist, an antibacterial agent, an anti-inflammatory drug and an immunosuppressive agent. It is a member of cyclopentanes, a monocarboxylic acid, an organic heterotricyclic compound, an aromatic ether and a member of (trifluoromethyl)benzenes. It is a conjugate acid of an etrasimod(1-).
Source: ChEBI
| Molecular formula | C26H26F3NO3 |
|---|---|
| Molecular weight | 457.5 g/mol |
| IUPAC name | 2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid |
| InChIKey | MVGWUTBTXDYMND-QGZVFWFLSA-N |
| SMILES | C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CC[C@@H]5CC(=O)O)C(F)(F)F |
Computed by PubChem (NCBI)