Omipalisib

Description: Omipalisib / GSK2126458 / GSK458 is a highly selective and potent inhibitor of p110α/β/δ/γ, mTORC1/2 with Ki of 0.019 nM/0.13 nM/0.024 nM/0.06 nM and 0.18 nM/0.3 nM in cell-free assays, respectively. Phase 1.

• Catalog: OFC1086062669
• CAS: 1086062-66-9
• Category: Fluorinated APIs
• Synonyms: GSK2126458
• Purity: >98%

• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
• InChI: InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
• InChI Key: CGBJSGAELGCMKE-UHFFFAOYSA-N
• Isomeric SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F
• EC Number: 629-873-1

• Molecular Formula: C25H17F2N5O3S
• Molecular Weight: 505.5
• Appearance: White to off-white solid powder

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 505.10201692 g/mol
• Monoisotopic Mass: 505.10201692 g/mol
• Topological Polar Surface Area: 115Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 833