Ozanimod hydrochlorideProduct ingredient for Ozanimod
- Name
- Ozanimod hydrochloride
- Drug Entry
- Ozanimod
Ozanimod is a once-daily sphingosine 1-phosphate receptor modulator for the treatment of relapsing Multiple Sclerosis (MS) and inflammatory bowel disease. It was developed by Celgene (now acquired by Bristol-Myers Squibb) 9 and was approved by the FDA on March 26, 2020.10,11 The US approval was followed by the approval in Canada on October 2, 2020.14 In November 2021, ozanimod was also approved by the European Commission for the treatment of adults with relapsing remitting multiple sclerosis.12,13
MS is a devastating inflammatory disease that often progresses and causes severe neurological, physical, and cognitive effects.4 Inflammatory bowel disease also a chronic inflammatory condition and can cause persistent abdominal pain, diarrhea, bloody stools, and vomiting.5
In clinical trials, Ozanimod has been shown to be well-tolerated and has resulted in a higher decrease in the rate of MS relapses than with intramuscular interferon beta-1a, a current standard in MS therapy. Studies involving patients with inflammatory bowel disease have also shown promising results.1,6
- Accession Number
- DBSALT002947
- Structure
- Synonyms
- Ozanimod HCl / Ozanimod hydrochloride
- UNII
- 3UPR33JAAM
- CAS Number
- 1618636-37-5
- Weight
- Average: 440.93
Monoisotopic: 440.1615184 - Chemical Formula
- C23H25ClN4O3
- InChI Key
- HAOOCAKHSFYDBU-BDQAORGHSA-N
- InChI
- InChI=1S/C23H24N4O3.ClH/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28;/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3;1H/t20-;/m0./s1
- IUPAC Name
- 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 hydrochloride
- SMILES
- Cl.CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N
- External Links
- ChemSpider
- 34984145
- ChEMBL
- CHEMBL3707246
- Predicted Properties
Property Value Source Water Solubility 0.161 mg/mL ALOGPS logP 2.81 ALOGPS logP 3.96 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 15.6 Chemaxon pKa (Strongest Basic) 8.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 104.2 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 135.66 m3·mol-1 Chemaxon Polarizability 45.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon