Ozanimod hydrochloride
- Product Name
- Ozanimod hydrochloride
- CAS No.
- 1618636-37-5
- Chemical Name
- Ozanimod hydrochloride
- Synonyms
- Ozanimod hyd;Ozanimod hydrochloride;Ozanimod hydrochloride Impurity 1;5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;"Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1- [(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methyleth";(S)-4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-aminium chloride;(S)-5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride
- CBNumber
- CB63164855
- Molecular Formula
- C23H25ClN4O3
- Formula Weight
- 440.93
- MOL File
- 1618636-37-5.mol
Ozanimod hydrochloride Property
- form
- Solid
- color
- White to off-white
- InChIKey
- HAOOCAKHSFYDBU-OZYVVJTJNA-N
- SMILES
- N([C@H]1CCC2=C(C3=NOC(C4C=CC(OC(C)C)=C(C#N)C=4)=N3)C=CC=C12)CCO.Cl |&1:1,r|
Ozanimod hydrochloride Chemical Properties,Usage,Production
Description
Ozanimod hydrochloride (RPC-1063 hydrochloride) is an orally available, selective and potent sphingosine 1-phosphate (S1P) receptor modulator that shows high affinity for S1P1 and S1P5. Ozanimod has potential anticancer activity and can be used in studying multiple sclerosis (MS), ulcerative multiple sclerosis (UMS), and other diseases. (MS), ulcerative colitis, coronavirus infections and myelodysplasia.
Chemical Properties
Ozanimod hydrochloride is a white to off-white solid with a melting point of ~240°C. It is poorly hygroscopic. The solubility of ozanimod hydrochloride in ethanol and methanol is 1.43 and 2.41 mg/mL; in a pH 5.1, aqueous medium is 3.51 mg/mL. The pKa for this compound is 7.90, and the partition coefficient (logP) is 3.28.
Uses
Ozanimod hydrochloride is an oral sphingosine 1-phosphate receptor modulator used to treat ulcerative colitis and other autoimmune diseases.
Synthesis
The carboxylic acid 187 (Western fragment) was activated using CDI (carbodiimide) and then coupled with the Eastern fragment 186 to form the oxadiazole 189. The crude product was used directly for the subsequent acetal deprotection without further purification. The deprotection reaction gave the ketone 190 in 76% yield from 187. The ketone 190 was condensed with 2-aminoethyl alcohol under Dean-Stark conditions to give the imine 191 in 96% yield. The chiral ruthenium complex 192 catalyzed the reduction of the imine 190 to give ozanimod 193 in high enantiomeric excess. Finally, the salt formation reaction with hydrochloric acid in methanol gave ozanimod hydrochloride in high yield.
Ozanimod hydrochloride Preparation Products And Raw materials
Raw materials
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