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354813-19-7,MFCD19443790
Catalog No.:AA00C6BL

354813-19-7 | Balicatib

Pack Size
Purity
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Price(USD)
Quantity
  
1mg
98+%
in stock  
$19.00   $14.00
- +
5mg
98+%
in stock  
$60.00   $42.00
- +
10mg
98+%
in stock  
$82.00   $57.00
- +
50mg
98+%
in stock  
$158.00   $110.00
- +
100mg
98+%
in stock  
$234.00   $164.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C6BL
Chemical Name:
Balicatib
CAS Number:
354813-19-7
Molecular Formula:
C23H33N5O2
Molecular Weight:
411.5404
MDL Number:
MFCD19443790
SMILES:
CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Properties
Computed Properties
 
Complexity:
621  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
2.8  

Downstream Synthesis Route
354813-19-7    110-16-7   
N-1-(cyanomethyl-carbamoyl)-cyclohexyl-4-(4-propyl-piperazin-1-yl)-benzamidehydrogenmaleate 

[1]Patent:WO2006/63762,2006,A1.Locationinpatent:Page/Pagecolumn15

[2]Patent:WO2006/63762,2006,A1.Locationinpatent:Page/Pagecolumn16

[3]Patent:WO2006/63762,2006,A1.Locationinpatent:Page/Pagecolumn16

354813-19-7    110-16-7   
N-1-(cyanomethyl-carbamoyl)-cyclohexyl-4-(4-propyl-piperazin-1-yl)-benzamidehydrogenmaleatemethanolsolvate 

[1]Patent:WO2006/63762,2006,A1.Locationinpatent:Page/Pagecolumn16

225122-32-7   
4-4-(1-Propyl)-piperazin-1-yl-benzoicacidhydrochlorid 
  354813-19-7 

[1]Patent:US2001/16207,2001,A1

354813-19-7    921-01-7   
C26H37N5O4S 

[1]ACSMedicinalChemistryLetters,2014,vol.5,p.501-505

Literature

Title: Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors.

Journal: Journal of medicinal chemistry 20121025

Title: (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.

Journal: Journal of medicinal chemistry 20120726

Title: Morphea-like skin reactions in patients treated with the cathepsin K inhibitor balicatib.

Journal: Journal of the American Academy of Dermatology 20120301

Title: Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys.

Journal: Osteoporosis international : a journal established as result of cooperation between the European Foundation for Osteoporosis and the National Osteoporosis Foundation of the USA 20120101

Title: Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys.

Journal: Osteoporosis international : a journal established as result of cooperation between the European Foundation for Osteoporosis and the National Osteoporosis Foundation of the USA 20111201

Title: The cathepsin K inhibitor AAE581 induces morphological changes in osteoclasts of treated patients.

Journal: Microscopy research and technique 20100701

Title: Emerging targets in osteoporosis disease modification.

Journal: Journal of medicinal chemistry 20100610

Title: Pharmacological inhibitors to identify roles of cathepsin K in cell-based studies: a comparison of available tools.

Journal: Biological chemistry 20090901

Title: A simple in vitro assay for assessing the reactivity of nitrile containing compounds.

Journal: Bioorganic & medicinal chemistry letters 20090215

Title: Cathepsin K inhibitors as treatment of bone metastasis.

Journal: Current opinion in supportive and palliative care 20080901

Title: Drug-induced morphea: report of a case induced by balicatib and review of the literature.

Journal: Journal of the American Academy of Dermatology 20080701

Title: The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.

Journal: Bioorganic & medicinal chemistry letters 20080201

Title: Emerging roles of cysteine cathepsins in disease and their potential as drug targets.

Journal: Current pharmaceutical design 20070101

Title: Design and synthesis of tri-ring P3 benzamide-containing aminonitriles as potent, selective, orally effective inhibitors of cathepsin K.

Journal: Journal of medicinal chemistry 20051201

Title: Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity.

Journal: Journal of medicinal chemistry 20051201

Title: Jerome C, et al. Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys. Osteoporos Int. 2012 Jan;23(1):339-49.

Title: Gauthier JY, et al. The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K. Bioorg Med Chem Lett. 2008 Feb 1;18(3):923-8.

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SDS
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