BW-A 78U

Description: BW-A 78U is a PDE4 inhibitor with an IC50 of 3 μM.

• Catalog: OFC101155026
• CAS: 101155-02-6
• Category: Fluorinated APIs
• Synonyms: 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine
• Purity: >98%

• IUPAC Name: 9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
• InChI: InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)
• InChI Key: MZABAGHILOTTOD-UHFFFAOYSA-N
• Isomeric SMILES: CNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3F

• Molecular Formula: C13H12FN5
• Molecular Weight: 257.27
• Appearance: White to off-white solid powder

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 257.10767357 g/mol
• Monoisotopic Mass: 257.10767357 g/mol
• Topological Polar Surface Area: 55.6Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 303