Balicatib

• CAT Number: I003294
• CAS Number: 354813-19-7
• Molecular Formula: C₂₃H₃₃N₅O₂
• Molecular Weight: 411.54
• Purity: ≥95%
• Target: cathepsin K
• Solubility: DMSO: ≥ 46 mg/mL
• Storage: -20°C
• InChI: InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
• InChIKey: LLCRBOWRJOUJAE-UHFFFAOYSA-N
• SMILES: CCCN1CCN(C2=CC=C(C(NC3(C(NCC#N)=O)CCCCC3)=O)C=C2)CC1

Balicatib(AAE-581) is a potent and selective inhibitor of cathepsin K; 10-100 fold more potent in cell-based enzyme occupancy assays than against cathepsin B, L, and S.IC50 value:Target: cathepsin KThe cathepsin K inhibitor AAE-581 (balicatib) as the most advanced of them passed Phase II clinical trials in 2005. Eighty adult female Macaca fascicularis underwent bilateral ovariectomies and were dosed twice daily by oral gavage with balicatib at 0, 3, 10, and 50 mg/kg for 18 months (groups O, L, M, H, respectively). Approximately 1 month after treatment initiation, the 50 mg/kg dose was decreased to 30 mg/kg. Twenty animals underwent sham-ovariectomies (group S). Bone mass was measured at 3-6 month intervals. At 18 months, vertebra and femur were collected for histomorphometry.

Reference

1:Morphea-like skin reactions in patients treated with the cathepsin K inhibitor balicatib. Rünger TM, Adami S, Benhamou CL, Czerwiński E, Farrerons J, Kendler DL, Mindeholm L, Realdi G, Roux C, Smith V.J Am Acad Dermatol. 2012 Mar;66(3):e89-96. doi: 10.1016/j.jaad.2010.11.033. Epub 2011 May 14. PMID: 21571394 2:Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys. Jerome C, Missbach M, Gamse R.Osteoporos Int. 2012 Jan;23(1):339-49. doi: 10.1007/s00198-011-1593-2. Epub 2011 Mar 5. PMID: 21380636 3:Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys. Jerome C, Missbach M, Gamse R.Osteoporos Int. 2011 Dec;22(12):3001-11. doi: 10.1007/s00198-011-1529-x. Epub 2011 Feb 10. PMID: 21308366 4:Drug-induced morphea: report of a case induced by balicatib and review of the literature. Peroni A, Zini A, Braga V, Colato C, Adami S, Girolomoni G.J Am Acad Dermatol. 2008 Jul;59(1):125-9. doi: 10.1016/j.jaad.2008.03.009. Epub 2008 Apr 14. Review. PMID: 18410981