5-(4-(Hydroxylmethyl)phenoxy)benzo[c][1,2]oxaborol-1-(3H)-ol

CAS: 1187188-60-8

Ref. TR-C118700

Product Information

• Name: 5-(4-(Hydroxylmethyl)phenoxy)benzo[c][1,2]oxaborol-1-(3H)-ol
• Synonyms: 4-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]benzenemethanol, Crisaborole Impurity 6
• Brand: TRC

Description

Applications 5-(4-(Hydroxyl Methyl)phenoxy)benzo[c][1,2]oxaborol-1-(3H)-ol is an impurity for Crisaborole(H947928). Crisaborole is a series of phenoxy benzoxaboroles were synthesized and screened for their inhibitory activity against PDE4 and cytokine release. 5-​(4-​Cyanophenoxy)​-​2,​3-​dihydro-​1-​hydroxy-​2,​1-​benzoxaborole (AN2728) showed potent activity both in vitro and in vivo. AN2728 is being studied as an anti-inflammatory agent.
References Akama, T., et al.: Bioorganic Med. Chem. Lett., 19, 2129 (2009)

Chemical properties

• Molecular weight: 256.062
• Formula: C₁₄H₁₃BO₄
• Color/Form: Neat
• InChI: InChI=1S/C14H13BO4/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,16-17H,8-9H2
• InChI key: InChIKey=ZYSMVTJFVYIMEE-UHFFFAOYSA-N
• SMILES: OCc1ccc(Oc2ccc3c(c2)COB3O)cc1