PF-06840003

Description: PF-06840003 / EOS200271 is a highly selective orally bioavailable IDO-1 inhibitor. Although it has moderate hIDO1 enzyme inhibiti on (IC50 0.41 μM), it is a highly efficient compound (LE 0.53, LipE 5.1), driven by its tight packing within the enzyme, as well as the high density of hydrogen bonds it forms with hIDO-1 despite its small size.

• Catalog: OFC198474054-1
• CAS: 198474-05-4
• Category: Fluorinated APIs
• Synonyms: EOS20027
• Purity: >98%

• IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
• InChI: InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
• InChI Key: MXKLDYKORJEOPR-UHFFFAOYSA-N
• Isomeric SMILES: C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F

• Molecular Formula: C12H9FN2O2
• Molecular Weight: 232.21
• Appearance: White to off-white solid powder

• XLogP3-AA: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 232.06480570 g/mol
• Monoisotopic Mass: 232.06480570 g/mol
• Topological Polar Surface Area: 62Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 360