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Chemical structure of Etrasimod

GC19146

Etrasimod

Also known as 2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid

Etrasimod (APD334) is a potent, selective and orally available antagonist of the sphingosine-1-phosphate-1 (S1P1) receptor with an IC50 value of 1·88 nM in CHO cells

ChemicalCAS1206123-37-6MW457.48FormulaC26H26F3NO3
CAS number
1206123-37-6
Molecular weight
457.48
Formula
C26H26F3NO3
Solubility
DMSO ： ≥ 28 mg/mL (61·20 mM)
InChIKey
MVGWUTBTXDYMND-QGZVFWFLSA-N
Catalogue number
GC19146
Brand
GLPBIO
Computed properties PubChem CID 44623998 · XLogP 6.4 · TPSA 62.3 Ų · H-bond donors 2
XLogP
6.4
TPSA
62.3 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

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 descriptors from PubChem (CID 44623998), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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