Balicatib

Names

[ Name ]:
Balicatib

[Synonym ]:
N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propylpiperazin-1-yl)benzamide
Balicatib
N-(1-{[(cyanomethyl)amino]carbonyl}cyclohexyl)-4-(4-propylpiperazin-1-yl)benzamide
N-(1-(cyanomethylcarbamoyl)cyclohexyl)-4-(4-propylpiperazin-1-yl)benzamide
N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-4-[4-(1-propyl)-piperazin-1-yl]-benzamide
AAE 581
UNII-E00MVC7O57
Benzamide, N-[1-[[(cyanomethyl)amino]carbonyl]cyclohexyl]-4-(4-propyl-1-piperazinyl)-
N-{1-[(Cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propyl-1-piperazinyl)benzamide

Biological Activity

[Description]:

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.

[Related Catalog]:

Signaling Pathways >> Metabolic Enzyme/Protease >> Cathepsin

Research Areas >> Inflammation/Immunology

[References]

[1]. Falgueyret JP, et al. Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity. J Med Chem. 2005 Dec 1;48(24):7535-43.

[2]. Vasiljeva O, et al. Emerging roles of cysteine cathepsins in disease and their potential as drug targets. Curr Pharm Des. 2007;13(4):387-403.

[3]. Jerome C, et al. Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys. Osteoporos Int. 2011 Dec;22(12):3001-11.

[Related Small Molecules]

Leupeptin hemisulfate salt | E-64 | PMSF | CA-074 methyl ester | LY 3000328 | Odanacatib(MK-0822) | CA 074 TFA | VBY-825 | Cysteine Protease inhibitor | Papain | MK-0822 | Cathepsin Inhibitor 2 | E-64c | MIV-247

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
687.4±55.0 °C at 760 mmHg

[ Molecular Formula ]:
C₂₃H₃₃N₅O₂

[ Molecular Weight ]:
411.540

[ Flash Point ]:
369.5±31.5 °C

[ Exact Mass ]:
411.263428

[ PSA ]:
91.96000

[ LogP ]:
1.56

[ Appearance of Characters ]:
white solid

[ Vapour Pressure ]:
0.0±2.1 mmHg at 25°C

[ Index of Refraction ]:
1.590

[ Storage condition ]:
-20℃

Safety Information

[ HS Code ]:
2933599090

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%