Etrasimod

Nama Kimia:

(R)-2-(7-((4-cyclopentyl-3-(trifluoromethyl)benzyl)oxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)asid asetik

Kod SMILES:

O=C(O)C[C@H]1CCC2=C1NC3=C2C=C(OCC4=CC=C(C5CCCC5)C(C(F)(F)F)=C4)C=C3

Kod InChi:

InChI=1S/C26H26F3NO3/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/j5,7-8,10-11,13,16-17,30H, 1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1

Kunci InChi:

MVGWUTBTXDYMND-QGZVFWFLSA-N

Kata kunci:

APD334 1206123-37-6 (asas percuma) 1206123-97-8 (arginine)

Keterlarutan: 

Storan: 

Penerangan:

Sasaran: S1P1