Selexipag
Selexipag is a Prostacyclin receptor agonist, that causes vasodilation in pulmonary vasculature and is used in the therapy of pulmonary arterial hypertension (PAH). Undergoes hydrolytic removal of the sulfonamide moiety by carboxylesterase 1 (CES1) to yield the pharmacologically active metabolite MRE-269 (ACT-333679)
General
Type : Sulfonyl, Sulfur Compound, Not A\/B H target, Pro-Drug, Drug
Chemical_Nomenclature : 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide
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 : 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
Other name(s) : NS-304 || Uptravi || NS 304 || ACT-293987
MW : 496.62
Formula : C26H32N4O4S
CAS_number : 475086-01-2
PubChem : 9913767
UniChem : QXWZQTURMXZVHJ-UHFFFAOYSA-N
Target
Structures : No structure
Families : Carb_B_Chordata
References (1)
| Title : Contribution of Human Liver and Intestinal Carboxylesterases to the Hydrolysis of Selexipag In Vitro - Imai_2019_J.Pharm.Sci_108_1027 |
| Author(s) : Imai S , Ichikawa T , Sugiyama C , Nonaka K , Yamada T |
| Ref : J Pharm Sci , 108 :1027 , 2019 |
| Abstract : |
| PubMedSearch : Imai_2019_J.Pharm.Sci_108_1027 |
| PubMedID: 30267780 |