| Identification | Back Directory | [Name]
Balicatib | [CAS]
354813-19-7 | [Synonyms]
AAE-581
CS-1415
Balicatib
Balicatib, >97%
Balicatib, >=98%
Balicatib, AAE-581
AAE581; AAE 581; AAE-581
N-(1-(CYANOMETHYLCARBAMOYL)CYCLOHEXYL)-4-(4-PROPYLPIPERAZIN-1-YL)BENZAMIDE
Benzamide, N-[1-[[(cyanomethyl)amino]carbonyl]cyclohexyl]-4-(4-propyl-1-piperazinyl)-
N-[1-(Cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide Balicatib(AAE-581)
Balicatib N-[1-(Cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide | [EINECS(EC#)]
200-256-5 | [Molecular Formula]
C23H33N5O2 | [MDL Number]
MFCD19443790 | [MOL File]
354813-19-7.mol | [Molecular Weight]
411.54 |
| Chemical Properties | Back Directory | [Boiling point ]
687.4±55.0 °C(Predicted) | [density ]
1.19±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:52.04(Max Conc. mg/mL);126.45(Max Conc. mM)
DMF:25.0(Max Conc. mg/mL);60.75(Max Conc. mM)
DMF:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.21(Max Conc. mM)
Ethanol:1.75(Max Conc. mg/mL);4.25(Max Conc. mM) | [form ]
A crystalline solid | [pka]
13.23±0.20(Predicted) | [color ]
White to off-white | [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]
C(NC1(C(NCC#N)=O)CCCCC1)(=O)C1=CC=C(N2CCN(CCC)CC2)C=C1 |
| Hazard Information | Back Directory | [Uses]
Balicatib is a potent inhibitor of Cathepsin K (Cat K), a lysosomal cysteine protease, for the treatment of osteoporosis. | [in vivo]
Balicatib (0, 3, 10, 50 mg/kg; Oral gavage; twice daily for 18 months) partially prevented ovariectomyinduced changes in bone mass, inhibited bone turnover at most sites, and had an stimulatory effect on periosteal bone formation in cynomolgus monkeys[1]. | Animal Model: | 11-13 years, female cynomolgus monkeys (Macaca fascicularis)[1] | | Dosage: | 0, 3, 10, 50 mg/kg | | Administration: | Oral gavage; twice daily for 18 months | | Result: | Completely prevented ovariectomy-induced increases in BFR/BS in cancellous bone of vertebra and femur and in osteonal and endocortical bone of vertebra, significantly decreased bone formation rates. |
| [IC 50]
cathepsin K: 22 nM (IC50); cathepsin L: 48 nM (IC50); Cathepsin B: 61 nM (IC50); cathepsin S: 2900 nM (IC50) | [storage]
Store at -20°C |
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