NVP-BHG712

Description: NVP-BHG712 / BHG-712 inhibits EphB4 kinase activity in the low nanomolar range in cellular assays showed high selectivity for targeting the EphB4 kinase when profiled against other kinases in biochemical as well as in cell based assays. It also shows activity against c-Raf, c-Src and c-Abl with IC50 of 0.395 μM, 1.266 μM and 1.667 μM, respectively.

• Catalog: OFC940310850
• CAS: 940310-85-0
• Category: Fluorinated APIs
• Synonyms: BHG-712
• Purity: >98%

• IUPAC Name: 4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• InChI: InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)
• InChI Key: ZCCPLJOKGAACRT-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C
• EC Number: 804-395-8

• Molecular Formula: C26H20F3N7O
• Molecular Weight: 503.48
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 503.16814277 g/mol
• Monoisotopic Mass: 503.16814277 g/mol
• Topological Polar Surface Area: 97.6Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 786