Name: Name:Balicatib
Brand: Angene
SKU: AG00C6ED
Rating: 90 (10 reviews)

Catalog Number:

AG00C6ED

Chemical Name:

Balicatib

CAS Number:

354813-19-7

Molecular Formula:

C23H33N5O2

Molecular Weight:

411.5404

MDL Number:

MFCD19443790

IUPAC Name:

N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide

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)

InChI Key:

LLCRBOWRJOUJAE-UHFFFAOYSA-N

SMILES:

CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N

UNII:

E00MVC7O57

Complexity:

621

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

411.263g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.55g/mol

Monoisotopic Mass:

411.263g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Title	Journal
Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors.	Journal of medicinal chemistry 20121025
(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 of medicinal chemistry 20120726
Morphea-like skin reactions in patients treated with the cathepsin K inhibitor balicatib.	Journal of the American Academy of Dermatology 20120301
Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys.	Osteoporosis international : a journal established as result of cooperation between the European Foundation for Osteoporosis and the National Osteoporosis Foundation of the USA 20120101
Balicatib, a cathepsin K inhibitor, stimulates periosteal bone formation in monkeys.	Osteoporosis international : a journal established as result of cooperation between the European Foundation for Osteoporosis and the National Osteoporosis Foundation of the USA 20111201
The cathepsin K inhibitor AAE581 induces morphological changes in osteoclasts of treated patients.	Microscopy research and technique 20100701
Emerging targets in osteoporosis disease modification.	Journal of medicinal chemistry 20100610
Pharmacological inhibitors to identify roles of cathepsin K in cell-based studies: a comparison of available tools.	Biological chemistry 20090901
A simple in vitro assay for assessing the reactivity of nitrile containing compounds.	Bioorganic & medicinal chemistry letters 20090215
Cathepsin K inhibitors as treatment of bone metastasis.	Current opinion in supportive and palliative care 20080901
Drug-induced morphea: report of a case induced by balicatib and review of the literature.	Journal of the American Academy of Dermatology 20080701
The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.	Bioorganic & medicinal chemistry letters 20080201
Emerging roles of cysteine cathepsins in disease and their potential as drug targets.	Current pharmaceutical design 20070101
Design and synthesis of tri-ring P3 benzamide-containing aminonitriles as potent, selective, orally effective inhibitors of cathepsin K.	Journal of medicinal chemistry 20051201
Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity.	Journal of medicinal chemistry 20051201