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Chemical structure of Ozanimod hydrochloride

GC69645

Ozanimod hydrochloride

Also known as 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride

Ozanimod (RPC-1063) hydrochloride is a sphingosine 1-phosphate (S1P) receptor modulator that selectively and with high affinity binds to S1P receptor subtypes 1 (S1P1) and 5 (S1P5)· Ozanimod hydrochloride has regulatory effects on hS1P1 and hS1P5 receptors, with EC50 values of 1·03 nM and 8·6 nM, respectively· Ozanimod hydrochloride can be used for research on relapsing multiple sclerosis (MS)

ChemicalCAS1618636-37-5MW440.92FormulaC23H25ClN4O3
CAS number
1618636-37-5
Molecular weight
440.92
Formula
C23H25ClN4O3
Solubility
DMSO : 200 mg/mL (453·60 mM; Need ultrasonic)
InChIKey
HAOOCAKHSFYDBU-BDQAORGHSA-N
Catalogue number
GC69645
Brand
GLPBIO
Computed properties PubChem CID 91618104 · TPSA 104 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
7
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)NCCO)C#N.Cl

Computed descriptors from PubChem (CID 91618104), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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