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Chemical structure of RP101988

GC65324

RP101988

Also known as 2-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid

RP101988, the major active metabolite of Ozanimod, is a selective, potent S1PR1 (sphingosine-1-phosphate receptor 1) agonist, with EC50s of 0·19 nM and 32·8 nM for S1PR1 and S1PR5, respectivlely

ChemicalCAS2990018-57-8MW418.45FormulaC23H22N4O4
CAS number
2990018-57-8
Molecular weight
418.45
Formula
C23H22N4O4
Solubility
DMSO ： 125 mg/mL (298·72 mM; Need ultrasonic)
InChIKey
HICWSCLKDYAXPD-IBGZPJMESA-N
Catalogue number
GC65324
Brand
GLPBIO
Computed properties PubChem CID 142470694 · XLogP 1.1 · TPSA 121 Ų · H-bond donors 2
XLogP
1.1
TPSA
121 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

SMILES CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCC(=O)O)C#N

Computed descriptors from PubChem (CID 142470694), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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