Pexidartinib

Description: Pexidartinib / PLX-3397 is a CSF1R inhibitor with IC50 of 20 nM in development by Plexxikon for the treatment of tenosynovial giant cell tumors. It is in a phase 3 clinical trial for Pigmented Villonodular Synovitis (PVNS) or Giant Cell Tumor of the Tendon Sheath (GCT-TS).

• Catalog: OFC1029044163
• CAS: 1029044-16-3
• Category: Fluorinated APIs
• Synonyms: PLX3397
• Purity: >98%

• IUPAC Name: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine
• InChI: InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
• InChI Key: JGWRKYUXBBNENE-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=NC=C1CC2=CNC3=C2C=C(C=N3)Cl)NCC4=CN=C(C=C4)C(F)(F)F

• Molecular Formula: C20H15ClF3N5
• Molecular Weight: 417.81
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 417.0968077 g/mol
• Monoisotopic Mass: 417.0968077 g/mol
• Topological Polar Surface Area: 66.5Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 573