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2990018-57-8

2990018-57-8 Structure

2990018-57-8 Structure
IdentificationBack Directory
[Name]

Ozanimod Impurity 8
[CAS]

2990018-57-8
[Synonyms]

Ozanimod Impurity 8
Ozanimod Impurity 9
(S)-1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-indene-4-carboximidamide
(S)-N-hydroxy-1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-indene-4-carboximidamide
Glycine, N-[(1S)-4-[5-[3-cyano-4-(1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-
[Molecular Formula]

C23H22N4O4
[MOL File]

2990018-57-8.mol
[Molecular Weight]

418.45
Chemical PropertiesBack Directory
[Boiling point ]

664.8±65.0 °C(predicted)
[density ]

1.36±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[form ]

Solid
[pka]

2.33±0.10(predicted)
[color ]

Off-white to light yellow
[InChIKey]

HICWSCLKDYAXPD-IBGZPJMESA-N
[SMILES]

N([C@H]1CCC2C1=CC=CC=2C1=NOC(C2C=CC(=C(C=2)C#N)OC(C)C)=N1)CC(=O)O
Hazard InformationBack Directory
[Uses]

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[1].
[IC 50]

S1PR1: 0.19 nM (EC50); S1PR5: 32.8 nM (EC50)
[References]

[1] Tran JQ, et al. Cardiac Safety of Ozanimod, a Novel Sphingosine-1-Phosphate Receptor Modulator: Results of a Thorough QT/QTc Study. Clin Pharmacol Drug Dev. 2018;7(3):263-276. DOI:10.1002/cpdd.383
[2] Gilardi D, et al. PK, PD, and interactions: the new scenario with JAK inhibitors and S1P receptor modulators, two classes of small molecule drugs, in IBD [published online ahead of print, 2020 Jul 1]. Expert Rev Gastroenterol Hepatol. 2020;1-10. DOI:10.1080/17474124.2020.1785868
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