FL104 - Moligand™, ≥95% , Agonist of UT receptor, CAS No.885672-81-1, Agonist of UT receptor

CAS: 885672-81-1 Cat. No.: F610332 Formule: C₂₄H₂₅ClN₂O Poids moléculaire: 392.92 PubChem CID: 11663047

GRADE & PURITY Moligand™, ≥95%

Synonyms

FL-104 | FL 104 | N-[1-(4-chlorophenyl)-3-dimethylaminopropyl]-4-phenylbenzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

FL104 is a potent agonist of small-molecule urotensin II receptor, pEC50= 7.11.

Specifications

Synonymes

FL-104 | FL 104 | N-[1-(4-chlorophenyl)-3-dimethylaminopropyl]-4-phenylbenzamide

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of UT receptor

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528764470

Sourires canoniques

CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C

IUPAC Name

N-[1-(4-chlorophenyl)-3-dimethylaminopropyl]-4-phenylbenzamide

InChIKey

JXJCJZNVWYQHIF-UHFFFAOYSA-N

INCHI

1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)

Isomères SMILES

CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

PubChem CID

11663047

Poids moléculaire

392.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 N-benzylbenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: N-benzylbenzamides
• Alternative Parents: Biphenyls and derivatives Benzoyl derivatives Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzylbenzamide - Biphenyl - Benzoyl - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
• 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

Cibles associées (humaines)

UTS2R Tchem Urotensin-2 receptor (1 Activities)

Discover Target: UTS2R

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

Propriétés chimiques et physiques

• Solubilité: DMSO: 9 mg/mL (22.9 mM)
• Poids moléculaire: 392.900 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 392.166 Da
• Monoisotopic Mass: 392.166 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 461.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1