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Cathepsin Inhibitor 1 - ≥99%, high purity , CAS No.225120-65-0

COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
C129408
Grouped product items
SKU Size
Availability
 Price Qty
C129408-1mg
1mg
3
$28.90
C129408-5mg
5mg
3
$117.90
C129408-25mg
25mg
3
$531.90
C129408-100mg
100mg
2
$1,088.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Amino Acid/Protein Metabolism (1836) Cathepsin (64) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms 1H-Pyrazole-5-carboxamide, N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)amino]-2-oxoethyl]-3-(1,1-dimethylethyl)-1-methyl-
Specifications & Purity ≥99%
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.

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 Phenylalanine and derivatives
Alternative Parents N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Amphetamines and derivatives  Pyrazole-5-carboxamides  2-heteroaryl carboxamides  Chlorobenzenes  Aryl chlorides  Fatty amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Nitriles  Azacyclic compounds  Hydrocarbon derivatives  Organochlorides  Organic oxides  Carbonyl compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available

Associated Targets(Human)

CTSL Tclin Cathepsin L1 (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSS Tchem Cathepsin S (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CTSV Tchem Cathepsin L2 (2 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
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
CTSV Tchem Cathepsin L2 (273 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
Hdac6 Histone deacetylase 6 (222 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
SARS-CoV-2 (38078 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 504770316
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770316
IUPAC Name 5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
INCHI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
InChIKey MZRVIHRERYCHBL-HNNXBMFYSA-N
Smiles CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C
Isomeric SMILES CC(C)(C)C1=NN(C(=C1)C(=O)N[C@@H](CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C
PubChem CID 44224135
Molecular Weight 401.89

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.

5 results found

Lot Number Certificate Type Date Item
C2514257 Certificate of Analysis Mar 21, 2025 C129408
L2216675 Certificate of Analysis Sep 18, 2024 C129408
L2216676 Certificate of Analysis Sep 18, 2024 C129408
L2216633 Certificate of Analysis Sep 18, 2024 C129408
L2216677 Certificate of Analysis Sep 18, 2024 C129408

Chemical and Physical Properties

Solubility DMSO 80 mg/mL Water <1 mg/mL Ethanol 50 mg/mL
Molecular Weight 401.900 g/mol
XLogP3 3.300
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 401.162 Da
Monoisotopic Mass 401.162 Da
Topological Polar Surface Area 99.800 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 611.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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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Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
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