IcatCXPZ₋₀₁ - Moligand™ , Inhibitor of cathepsin C, CAS No.I610917, Inhibitor of cathepsin C

CAS: I610917 Cat. No.: I610917 PubChem CID: 66550979

GRADE & PURITY Moligand™

Synonyms

compound 8a;XPZ-01

Storage

Room temperature

Specifications

Synonyms

compound 8a;XPZ-01

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cathepsin C

Names and Identifiers

• Canonical Smiles: CC[C@@H](C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N
• IUPAC Name: (2S)-2-amino-N-[(1R,2R)-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]butanamide
• InChIKey: LJIOTBMDLVHTBO-CUYJMHBOSA-N
• INCHI: 1S/C25H31N5O3S/c1-3-23(27)24(31)28-25(17-26)16-22(25)20-6-4-18(5-7-20)19-8-10-21(11-9-19)34(32,33)30-14-12-29(2)13-15-30/h4-11,22-23H,3,12-16,27H2,1-2H3,(H,28,31)/t22-,23+,25+/m1/s1
• Isomeric SMILES: CC[C@@H](C(=O)N[C@@]1(C[C@@H]1C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C#N)N
• PubChem CID: 66550979

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds N-methylpiperazines Organosulfonamides N-acyl amines Sulfonyls Trialkylamines Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Fatty amide - N-acyl-amine - Piperazine - Organosulfonic acid amide - Fatty acyl - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Cyanide - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CTSC Tchem Dipeptidyl peptidase 1 (1 Activities)

Discover Target: CTSC

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action