Leniolisib phosphateProduct ingredient for Leniolisib
- Name
- Leniolisib phosphate
- Drug Entry
- Leniolisib
Leniolisib is a potent and selective inhibitor of phosphoinositide 3-kinase δ (PI3Kδ). The FDA approved leniolisib on March 24, 2023, making it the first treatment for activated phosphoinositide 3-kinase delta syndrome (APDS).10 APDS is a primary immunodeficiency caused by mutations in genes encoding the PI3Kδ, thereby increasing the activity of PI3Kδ, causing immune dysfunction, and elevating susceptibility to infections.1,2 Leniolisib works to inhibit hyperactive PI3Kδ.9 Investigations for using leniolisib in primary Sjögren’s syndrome are ongoing.3
- Accession Number
- DBSALT003336
- Structure
Structure for Leniolisib phosphate (DBSALT003336)
- Synonyms
- Not Available
- UNII
- 3700M1H39Q
- CAS Number
- 1354691-97-6
- Weight
- Average: 548.46
Monoisotopic: 548.176004133 - Chemical Formula
- C21H28F3N6O6P
- InChI Key
- XXEDEGOAYSGNPS-ZOWNYOTGSA-N
- InChI
- InChI=1S/C21H25F3N6O2.H3O4P/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14;1-5(2,3)4/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28);(H3,1,2,3,4)/t13-;/m0./s1
- IUPAC Name
- 1-[(3S)-3-({6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl}amino)pyrrolidin-1-yl]propan-1-one; phosphoric acid
- SMILES
- OP(O)(O)=O.CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CN=C(OC)C(=C1)C(F)(F)F
- External Links
- ChemSpider
- 52083075
- ChEMBL
- CHEMBL3989909
- Wikipedia
- Leniolisib
- Predicted Properties
Property Value Source logP 2.01 Chemaxon pKa (Strongest Acidic) 18.21 Chemaxon pKa (Strongest Basic) 5.43 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 83.48 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 115.08 m3·mol-1 Chemaxon Polarizability 44.76 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon