Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01430)
Name
Siponimod
Synonyms    Click to Show/Hide the Synonyms of This API
Siponimod; 1230487-00-9; BAF312 (Siponimod); BAF-312(SiponiMod); BAF-312; BAF312; UNII-RR6P8L282I; NVP-BAF312-NX; RR6P8L282I; CHEMBL2336071; Siponimod [INN]; 3-Azetidinecarboxylic acid, 1-((4-((1E)-1-(((4-cyclohexyl-3-(trifluoromethyl)phenyl)methoxy)imino)ethyl)-2-ethylphenyl)methyl)-; Siponimod [WHO-DD]; 3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-; Siponimod [USAN]; Siponimod (USAN/INN); Siponimod [USAN:INN]; SCHEMBL641699; AMY595; BAF 312; DTXSID40153847; C29H35F3N2O3; 1-[[4-[(Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid; 1-{4-[1-((E)-4-cyclohexyl-3-trifluoromethyl-benzyloxyimino)-ethyl]-2-ethyl-benzyl}-azetidine-3-carboxylic acid; WHO 9491; BDBM50428142; MFCD26142651; CCG-269825; CS-3876; DB12371; SB16680; 1-((4-((1E)-1-(((4-Cyclohexyl- 3-(trifluoromethyl)phenyl)methoxy)imino)ethyl)- 2-ethylphenyl)methyl)azetidine-3-carboxylic acid; 1-(4-(1-((E)-4-cyclohexyl-3-trifluoromethylbenzyloxyimino)-ethyl)-2-ethylbenzyl)-azetidine-3-carboxylic acid; AC-32779; AS-56983; HY-12355; B3225; S7179; D11460; J-690082
Clinical Status
Approved
PubChem CID
44599207
Formula
C29H35F3N2O3
Canonical SMILES
CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O
InChI
1S/C29H35F3N2O3/c1-3-21-14-23(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/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
InChIKey
KIHYPELVXPAIDH-HNSNBQBZSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=44599207"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 516.6 Topological Polar Surface Area 62.1
XlogP 4.8 Complexity 777
Heavy Atom Count 37 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Full List of Drug Formulations (DFMs) Containing This API
          Siponimod 0.25mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Colloidal Silicon Dioxide; Crospovidone; Glyceryl Behenate; Lactose Monohydrate; Microcrystalline Cellulose; Black Iron Oxides; Red Iron Oxides; Lecithin (Soy); Polyvinyl Alcohol; Talc; Titanium Dioxide; Xanthan Gum
                   Dosage Form Tablet
                   Company Novartis Pharmaceuticals Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [1]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Soybean lecithin DIG Info Albendazole monooxygenase (IC50 = 6.61 mg.mL-1) [3]
          Siponimod 2mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Colloidal Silicon Dioxide; Crospovidone; Glyceryl Behenate; Lactose Monohydrate; Microcrystalline Cellulose; Red Iron Oxides; Yellow Iron Oxides; Lecithin (Soy); Polyvinyl Alcohol; Talc; Titanium Dioxide; Xanthan Gum
                   Dosage Form Tablet
                   Company Novartis Pharmaceuticals Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [1]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Soybean lecithin DIG Info Albendazole monooxygenase (IC50 = 6.61 mg.mL-1) [3]
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
3 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.

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