Epacadostat

Description: Epacadostat/ INCB24360 is an inhibitor of indoleamine 2,3-dioxygenase-1) (IDO1). An investigational drug for cancer in phase 3.

• Catalog: OFC1204669588
• CAS: 1204669-58-8
• Category: Fluorinated APIs
• Synonyms: INCB24360
• Purity: 98%

• IUPAC Name: N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
• InChI: InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
• InChI Key: FBKMWOJEPMPVTQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F
• EC Number: 815-121-1

• Molecular Formula: C11H13BrFN7O4S
• Molecular Weight: 438.23

• XLogP3-AA: 0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 436.99171 g/mol
• Monoisotopic Mass: 436.99171 g/mol
• Topological Polar Surface Area: 176Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 563