Siponimod fumarateProduct ingredient for Siponimod
- Name
- Siponimod fumarate
- Drug Entry
- Siponimod
Siponimod, also known as Mayzent, by Novartis, is a new drug formulated for the management of Multiple Sclerosis (MS). It was approved by the FDA on March 26, 2019 6 and by Health Canada on February 20, 2020.8 This drug is considered a sphingosine-1-phosphate (S1P) receptor modulator and is thought to play a role in suppressing the central nervous system inflammation that is associated with MS Label.
Multiple Sclerosis (MS) is an autoimmune disease of the central nervous system that is chronic and inflammatory, disrupting communication between the brain and other parts of the body. Most patients diagnosed with this illness experience their initial disease symptoms between the age of 20 to 40, often the most productive years of life. Symptoms may include but are not limited to fatigue, gait changes, bowel or bladder dysfunction, abnormal muscle twitching, vision disturbance, and depressing or mood swings.7 MS is one of the most common causes of neurological disability in young adults and is found to occur more frequently in women than in men.1,6
- Accession Number
- DBSALT002866
- Structure
Structure for Siponimod fumarate (DBSALT002866)
- Synonyms
- Siponimod fumarate / Siponimod hemifumarate
- External IDs
- NVP-BAF312-AEA
- UNII
- Z7G02XZ0M6
- CAS Number
- 1234627-85-0
- Weight
- Average: 1149.282
Monoisotopic: 1148.530913577 - Chemical Formula
- C62H74F6N4O10
- InChI Key
- JNLIKIBISICTMS-PEJBKAKVSA-N
- InChI
- InChI=1S/2C29H35F3N2O3.C4H4O4/c2*1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32;5-3(6)1-2-4(7)8/h2*9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36);1-2H,(H,5,6)(H,7,8)/b2*33-19+;2-1+
- IUPAC Name
- (2E)-but-2-enedioic acid; bis(1-({4-[(1E)-1-({[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}imino)ethyl]-2-ethylphenyl}methyl)azetidine-3-carboxylic acid)
- SMILES
- OC(=O)\C=C\C(O)=O.CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F.CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F
- External Links
- ChemSpider
- 57642187
- ChEMBL
- CHEMBL4298150
- Predicted Properties
Property Value Source Water Solubility 0.00032 mg/mL ALOGPS logP 5.85 ALOGPS logP 4.31 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 3.33 Chemaxon pKa (Strongest Basic) 8.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 62.13 Å2 Chemaxon Rotatable Bond Count 22 Chemaxon Refractivity 138.6 m3·mol-1 Chemaxon Polarizability 55.85 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon