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Odanacatib (MK-0822) - 98%, high purity , CAS No.603139-19-1, Inhibitor of cathepsin K;Inhibitor of cathepsin S;Inhibitor of cathepsin Z

COA COA
In stock
Item Number
O127742
Grouped product items
SKU Size
Availability
 Price Qty
O127742-10mg
10mg
2
$207.90
O127742-25mg
25mg
1
$468.90
O127742-50mg
50mg
1
$521.90
O127742-100mg
100mg
1
$783.90
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View related series
Amino Acid/Protein Metabolism (1836) Cathepsin (64) cathepsin K Inhibitor (12) cathepsin S Inhibitor (7) cathepsin Z Inhibitor (2) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms NSC-82320 | Odanacatib | (2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide | AKOS000320210 | Odanacatib [USAN] | SMR004676504 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Odanacatib is an inhibitor of cathepsin K, an enzyme involved in bone resorption.
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;Inhibitor of cathepsin S;Inhibitor of cathepsin Z
Product Description

A cathepsin K inhibitor.
Odanacatib (MK 0822) is a potent, selective, and neutral inhibitor of cathepsin K (human/rabbit) with IC50 of 0.2 nM/1 nM, and demonstrated high selectivity versus off-target cathepsin B, L, S. Phase 3.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Amino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent Leucine and derivatives
Alternative Parents Biphenyls and derivatives  Alpha amino acid amides  Benzenesulfonyl compounds  Aralkylamines  N-acyl amines  Sulfones  Secondary carboxylic acid amides  Nitriles  Dialkylamines  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Leucine or derivatives - Alpha-amino acid amide - Biphenyl - Benzenesulfonyl group - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Secondary aliphatic amine - Carbonitrile - Nitrile - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available

Product Properties

ALogP 4.1

Associated Targets(Human)

CTSZ Tchem Cathepsin Z (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSS Tchem Cathepsin S (4 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSV Tchem Cathepsin L2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSK Tchem Cathepsin K (8 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSF Tchem Cathepsin F (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSB Tchem Cathepsin B (3822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSF Tchem Cathepsin F (66 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
CTSH Tchem Cathepsin H (179 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSC Tchem Dipeptidyl peptidase I (1385 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSV Tchem Cathepsin L2 (273 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
CTSZ Tchem Cathepsin Z (64 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSS Tchem Cathepsin (S and K) (96 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSK Tchem Cathepsin (B and K) (80 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTSL Cathepsin L (58 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mmp2 Matrix metalloproteinase-2 (12 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
Mmp9 Matrix metalloproteinase 9 (38 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 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
Rhesus monkey (3147 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Splenocyte (1641 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 504765284
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765284
IUPAC Name (2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
INCHI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
InChIKey FWIVDMJALNEADT-SFTDATJTSA-N
Smiles CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
Isomeric SMILES CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
Alternate CAS 603139-19-1
MeSH Entry Terms L-1037536;MK-0822;odanacatib
Molecular Weight 525.56
Reaxy-Rn 31059173
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31059173&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
I2222064 Certificate of Analysis Jul 11, 2024 O127742
I2222070 Certificate of Analysis Jul 11, 2024 O127742
I2222071 Certificate of Analysis Jul 11, 2024 O127742
I2222072 Certificate of Analysis Jul 11, 2024 O127742

Chemical and Physical Properties

Solubility DMSO 100 mg/mL (190.27 mM); Water <1 mg/mL (<1 mM);Ethanol <1 mg/mL (<1 mM)；≥ 17.7mg/mL in DMSO
Molecular Weight 525.600 g/mol
XLogP3 4.100
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 9
Exact Mass 525.171 Da
Monoisotopic Mass 525.171 Da
Topological Polar Surface Area 107.000 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 934.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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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