example 8 [WO1999033801A1] - Moligand™ , Inhibitor of tripeptidyl peptidase 2, CAS No.E610256, Inhibitor of tripeptidyl peptidase 2

CAS: E610256 Cat. No.: E610256 PubChem CID: 57180216

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of tripeptidyl peptidase 2

Names and Identifiers

• Canonical Smiles: CC[C@@H](C(=O)N1[C@H](Cc2c1cccc2F)C(=O)NCC(F)(F)F)N
• IUPAC Name: (2R)-1-[(2S)-2-aminobutanoyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-2,3-dihydroindole-2-carboxamide
• InChIKey: GNYDXSHWPPTVEX-CMPLNLGQSA-N
• INCHI: 1S/C15H17F4N3O2/c1-2-10(20)14(24)22-11-5-3-4-9(16)8(11)6-12(22)13(23)21-7-15(17,18)19/h3-5,10,12H,2,6-7,20H2,1H3,(H,21,23)/t10-,12+/m0/s1
• Isomeric SMILES: CC[C@@H](C(=O)N1[C@H](CC2=C1C=CC=C2F)C(=O)NCC(F)(F)F)N
• PubChem CID: 57180216

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Alpha amino acid amides Benzenoids Aryl fluorides Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - Aryl fluoride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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)

TPP2 Tchem Tripeptidyl-peptidase 2 (1 Activities)

Discover Target: TPP2

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

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is E610256. InChIKey GNYDXSHWPPTVEX-CMPLNLGQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.