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

CAS: 1322598-09-3 Cat. No.: C287880 Summenformel: C₁₉H₁₇ClF₃NO₃ Molekulargewicht: 399.79

QUALITÄT & REINHEIT 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

Übersicht

Product description

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

 

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

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

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of FFA2 receptor

Reinheit

≥98%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

C1=CC(=CC(=C1)Cl)CC(=O)N[C@@H](CC2=CC=C(C=C2)C(F)(F)F)CC(=O)O

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 39.98, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 19.99, Max Conc. mM: 50
• Empfindlichkeit: light sensitive
• Molekulargewicht: 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