CATPB - Moligand™, ≥98%(HPLC) , Antagonist of FFA2 receptor, CAS No.1322598-09-3, Antagonist of FFA2 receptor

CAS: 1322598-09-3 Cat. No.: C287880 Molecular Weight: 399.79

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(S)-3-(2-(3-Chlorophenyl)acetamido)-4-(4-(trifluoromethyl)phenyl)butanoic acid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

CATPB is a potent, selective free fatty acid receptor 2 (FFA2R/GPR43) antagonist.

 

Specifications

Synonyms

(S)-3-(2-(3-Chlorophenyl)acetamido)-4-(4-(trifluoromethyl)phenyl)butanoic acid

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

FFA2 inverse agonist (pKi = 7.87). Selective for human over mouse FFA2. Increases forskolin-induced cAMP production and inhibits acetate-induced MAPK signaling in cells expressing human FFA2.

Storage

Protected from light, 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

ANTAGONIST

Mechanism of action

Antagonist of FFA2 receptor

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)Cl)CC(=O)NC(CC2=CC=C(C=C2)C(F)(F)F)CC(=O)O
• IUPAC Name: (3S)-3-[[2-(3-chlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
• InChIKey: QOSIJVVNNGXEKE-INIZCTEOSA-N
• INCHI: 1S/C19H17ClF3NO3/c20-15-3-1-2-13(8-15)10-17(25)24-16(11-18(26)27)9-12-4-6-14(7-5-12)19(21,22)23/h1-8,16H,9-11H2,(H,24,25)(H,26,27)/t16-/m0/s1
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)CC(=O)N[C@@H](CC2=CC=C(C=C2)C(F)(F)F)CC(=O)O
• Molecular Weight: 399.79
• Reaxy-Rn: 30128854
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30128854&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• 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
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Trifluoromethylbenzenes Phenylacetamides Amphetamines and derivatives Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Beta amino acid or derivatives - Amphetamine or derivatives - Trifluoromethylbenzene - Phenylacetamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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)

FFAR2 Tchem Free fatty acid receptor 2 (1 Activities)

Discover Target: FFAR2

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: 39.98, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 19.99, Max Conc. mM: 50
• Sensitivity: light sensitive
• Molecular Weight: 399.800 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 399.085 Da
• Monoisotopic Mass: 399.085 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 507.000
• 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