Compound: Ozanimod
SMILES: o1nc(-c2c3c(ccc2)[C@@H](NCCO)CC3)nc1-c4cc(C#N)c(OC(C)C)cc4
InChIKey: XRVDGNKRPOAQTN-FQEVSTJZSA-N
Synonyms: Ozanimod, 1306760-87-1, RPC1063, RPC-1063, Ozanimodum, Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-, Z80293URPV, RPC 1063, DTXSID501026488, 5-{3-[(1S)-1-[(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl}-2-(propan-2-yloxy)benzonitrile, Benzonitrile, 5-(3-((1S)-2,3-dihydro-1-((2-hydroxyethyl)amino)-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-(1-methylethoxy)-, 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile, 5-(3-((1S)-1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-(propan-2-yloxy)benzonitrile, RefChem:58151, L04AA38, DTXCID201510666, 5-(3-((1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-propan-2-yloxybenzonitrile, 814-246-9, (S)-5-(3-(1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile, Ozanimod (RPC1063), MFCD28386168, Ozanimod [INN], 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, Ozanimod [USAN:INN], (S)-4-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile; RPC 1063; 5-[3-[(1S)-2,3-Dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-benzonitrile;, Ozanimod (Standard), OZANIMOD [USAN], Ozanimod; RPC1063, Ozanimod (USAN/INN), OZANIMOD [MI], OZANIMOD [WHO-DD], GTPL8709, orb1300342, SCHEMBL2195490, CHEMBL3707247, SCHEMBL29560683, SCHEMBL29691988, CHEBI:234516, GLXC-10658, EX-A1316, RPC1063;5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile, ARD175257, BDBM50507186, EBC-26965, HY-12288R, s7952, AKOS026674086, CCG-268695, CS-5070, DB12612, N-Methoxy-N-methyl-alpha-phenylacetamide, AC-29883, AS-75063, DA-56527, FO162376, HY-12288, DB-213528, NS00073379, D10968, P14657, EN300-7393424, BRD-K46625559-001-01-8, Q21098986, 5-[3-[(1S)-1-(2-hydroxyethylamino)indan-4-yl]-1,2,4-oxadiazol-5-yl]-2-isopropoxy-benzonitrile, JEU
Theoretical properties:
molecular_formula: C23H24N4O3
molecular_weight: 404.5 g/mol
exact_mass: 404.18484064 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 7
heavy_atom_count: 30
topological_polar_surface_area: 104 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 648.3±65.0
melting_point: 134-137
Descriptions:
pubchem: Ozanimod is a sphingosine 1-phosphate receptor modulator being studied to treat Multiple Sclerosis (MS) and inflammatory bowel disease (IBD).
chebi: A sphingosine 1-phosphate receptor modulator being studied to treat Multiple Sclerosis (MS) and inflammatory bowel disease (IBD).
chembl: OZANIMOD is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Ozanimod, sold under the brand name Zeposia, is an immunomodulatory medication for the treatment of relapsing multiple sclerosis and ulcerative colitis. It acts as a sphingosine-1-phosphate receptor (S1PR) agonist, sequestering lymphocytes to peripheral lymphoid organs and away from their sites of chronic inflammation.
The most common adverse reactions are upper respiratory infection, hepatic transaminase elevation, orthostatic hypotension, urinary tract infection, back pain, and hypertension.
Ozanimod was approved for medical use in the United States in March 2020, in the European Union in May 2020, and in Australia in July 2020.