Tenidap - Moligand™, ≥98% , Activator of K ir2.3, CAS No.120210-48-2, Activator of K ir2.3

CAS: 120210-48-2 Cat. No.: T286898 Molecular Weight: 320.75 EC Number: 802-425-4 PubChem CID: 60712

GRADE & PURITY Moligand™, ≥98%

Synonyms

BDBM50331888 | 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide | (Z)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide | CP-66248 | VEA21048 | NCGC00160352-01 | Tenidapum [INN-Latin] | NCGC00263542-01 | (3Z)-5-Chloro

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Tenidap (CP-66248) is a selective COX-1 and SLC26A3 inhibitor with anti-inflammatory, analgesic, and anti-rheumatic activities.

Specifications

Synonyms

BDBM50331888 | 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide | (Z)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide | CP-66248 | VEA21048 | NCGC00160352-01 | Tenidapum [INN-Latin] | NCGC00263542-01 | (3Z)-5-Chloro

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

NSAID that preferentially inhibits COX-1 (IC50values are < 0.03, 1.2 and > 30μM for COX-1, COX-2 and 5-lipoxygenase respectively). Inhibits formation of pro-inflammatory arachidonic acid metabolites in isolated human peripheral polymorphonuclear leukocyte

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of K ir2.3

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O
• IUPAC Name: 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
• InChIKey: IZSFDUMVCVVWKW-UHFFFAOYSA-N
• INCHI: 1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
• Isomeric SMILES: C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O
• WGK Germany: 3
• PubChem CID: 60712
• Molecular Weight: 320.75

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: Indolecarboxamides and derivatives
• Alternative Parents: Hydroxyindoles Indoles Aryl ketones Thiophene carboxylic acids and derivatives Pyrrole carboxamides Aryl chlorides Benzenoids Substituted pyrroles Vinylogous amides Vinylogous acids Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Hydroxyindole - Indole - Pyrrole-1-carboxamide - Pyrrole-1-carboxylic acid or derivatives - Thiophene carboxylic acid or derivatives - Aryl ketone - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Vinylogous acid - Thiophene - Carbonic acid derivative - Urea - Ketone - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached 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)

KCNJ4 Tchem Inward rectifier potassium channel 4 (0 Activities)

Discover Target: KCNJ4

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 32.07, Max Conc. mM: 100
• Molecular Weight: 320.800 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 320.002 Da
• Monoisotopic Mass: 320.002 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 450.000
• 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