Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00619)
Name
Selexipag
Synonyms    Click to Show/Hide the Synonyms of This API
Selexipag; 475086-01-2; NS-304; Uptravi; ACT-293987; NS 304; UNII-5EXC0E384L; ACT 293987; 5EXC0E384L; NS-304;ACT-293987; 2-(4-((5,6-diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)-N-(methylsulfonyl)acetamide; 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide; 2-(4-((5,6-Diphenylpyrazin-2-yl)(propan-2-yl)amino)butoxy}-n-(methanesulfonyl)acetamide; 2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}-N-(methylsulfonyl)acetamide; Selexipag [USAN:INN]; Uptravi (TN); NS-304(Selexipag); Selexipag(NS-304); 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide; Selexipag (JAN/USAN/INN); SCHEMBL674122; CHEMBL238804; GTPL7552; CHEBI:90844; BCP09146; ZINC3990451; 3938AH; BDBM50235383; MFCD10567093; AKOS024457572; CCG-269668; CS-3774; DB11362; SB17055; NCGC00370833-01; NCGC00370833-02; AC-30209; AK298890; BS-16872; HY-14870; DB-119997; FT-0776043; D09994; 144383-EP2289518A1; 144383-EP2292231A1; Q15424759; 2-(4-((5,6-Diphenylpyrazinyl)(1-methylethyl)amino)butoxy)-N-(methylsulfonyl)-acetamide; 2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)acetamide; 2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide; 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-methanesulfonylacetamide
Clinical Status
Approved
Disease Indication Pulmonary hypertension ICD-11: BB01 [1]
PubChem CID
9913767
Formula
C26H32N4O4S
Canonical SMILES
CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)
InChIKey
QXWZQTURMXZVHJ-UHFFFAOYSA-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=9913767"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 496.6 Topological Polar Surface Area 110
XlogP 3.8 Complexity 730
Heavy Atom Count 35 Rotatable Bond Count 12
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Selexipag 1.6 mg 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
Magnesium stearate; Mannitol; Ferric oxide red; Ferric oxide yellow; Ferrosoferric oxide; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Selexipag 0.6 mg 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
Magnesium stearate; Mannitol; Ferric oxide red; Ferrosoferric oxide; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Selexipag 0.8 mg 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
Magnesium stearate; Mannitol; Ferric oxide yellow; Ferrosoferric oxide; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Selexipag 1 mg 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
Magnesium stearate; Mannitol; Ferric oxide red; Ferric oxide yellow; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Selexipag 1.2 mg 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
Magnesium stearate; Mannitol; Ferric oxide red; Ferrosoferric oxide; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Selexipag 0.2 mg 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
Magnesium stearate; Mannitol; Ferric oxide yellow; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Selexipag 0.4 mg 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
Magnesium stearate; Mannitol; Ferric oxide red; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Selexipag 1.4 mg 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
Magnesium stearate; Mannitol; Ferric oxide yellow; Propylene glycol; Titanium dioxide; Carnauba wax; Hydroxypropyl cellulose (1200000 mw); Hypromellose, unspecified; Low-substituted hydroxypropyl cellulose, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Actelion Pharmaceuticals US
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
References
1 FDA label for approved selexipag from the official website of the U.S. Food and Drug Administration.
2 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
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.
4 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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