Bis(4-cyanophenyl)methanol

• CAT Number: R011393
• CAS Number: 134521-16-7
• Molecular Formula: C15H10N2O
• Molecular Weight: 234.258
• Purity: ≥95%
• Synonyms: 4,4’-(Hydroxymethylene)bisbenzonitrile; Bis(p-cyanophenyl)methanol; CGP 44645
• Storage: -20°C
• IUPAC Name: 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
• InChI: InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
• InChIKey: JNJWXPZHWUOYRZ-UHFFFAOYSA-N
• SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)O

4,4/’-Dicyanobenzhydrol is a major oxidative metabolite of letrozole (Item No. 11568). Letrozole is a potent, cell-permeable inhibitor of aromatase (IC50 = 2 nM), a cytochrome P450 family member (designated CYP19) which catalyzes the conversion of androgens to estrogens. 4,4/’-Dicyanobenzhydrol is a weak inhibitor of CYP2B6 and CYP2C19 (Kis = 40 and 4.5 µM in vitro, respectively).