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Balicatib - ≥98%(HPLC), high purity , CAS No.354813-19-7, Inhibitor of cathepsin K

COA COA
In stock
Item Number
B288732
Grouped product items
SKU Size
Availability
 Price Qty
B288732-10mg
10mg
2
$129.90
B288732-50mg
50mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$587.90
B288732-100mg
100mg
2
$848.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent and selective cathepsin K inhibitor

View related series
Amino Acid/Protein Metabolism (1836) Cathepsin (64) cathepsin K Inhibitor (12) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms AAE-581 | AAE581 | N-(1-((cyanomethyl)carbamoyl)cyclohexyl)-4-(4-propylpiperazin-1-yl)benzamide | FT-0700298 | AAE581 | AAE-581 | UNII-E00MVC7O57 | GTPL7861 | AC-35832 | Balicatib [INN] | BDBM19855 | DB12239 | N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4
Specifications & Purity Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms Potent and selective cathepsin K inhibitor (IC50values are 1.4, 56 and 480 nM for human, rat and mouse cathepsin K, respectively). Exhibits >300-fold selectivity for cathepsin K over cathepsins L, B and S. Long term supratherapeutic dosing increases tissu
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of cathepsin K

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Benzamides
Direct Parent Hippuric acids and derivatives
Alternative Parents N-acyl-alpha amino acids and derivatives  Phenylpiperazines  N-arylpiperazines  Aminobenzamides  Dialkylarylamines  Benzoyl derivatives  Aniline and substituted anilines  N-alkylpiperazines  Trialkylamines  Secondary carboxylic acid amides  Nitriles  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-arylpiperazine - Phenylpiperazine - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors Not available

Product Properties

ALogP 2.8

Associated Targets(Human)

CTSL Tclin Cathepsin L1 (4 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSK Tchem Cathepsin K (7 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSB Tchem Cathepsin B (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSD Tchem Cathepsin D (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSD Tchem Cathepsin D (3201 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSB Tchem Cathepsin B (3822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSK Tchem Cathepsin K (3011 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSS Tchem Cathepsin S (3285 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

CTSL Cathepsin L (58 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A20 (109 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504765325
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765325
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)
InChIKey LLCRBOWRJOUJAE-UHFFFAOYSA-N
Smiles CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N
Isomeric SMILES CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N
Alternate CAS 354813-19-7
MeSH Entry Terms balicatib;N-(1-((cyanomethyl)carbamoyl)cyclohexyl)-4-(4-propylpiperazin-1-yl)benzamide
Molecular Weight 411.54
Reaxy-Rn 10304840
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10304840&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
L2411186 Certificate of Analysis Dec 18, 2024 B288732
J2113377 Certificate of Analysis Jul 18, 2024 B288732
J2113378 Certificate of Analysis Jul 18, 2024 B288732
J2113386 Certificate of Analysis Jul 18, 2024 B288732

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 41.15, Max Conc. mM: 100
Molecular Weight 411.500 g/mol
XLogP3 2.800
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 411.263 Da
Monoisotopic Mass 411.263 Da
Topological Polar Surface Area 88.500 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 621.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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