VUF 11222 - ≥98% , CAS No.1414376-84-3

CAS: 1414376-84-3 Cat. No.: V288506 Formule: C₂₅H₃₁BrIN Poids moléculaire: 552.33 PubChem CID: 71459294

GRADE & PURITY ≥98%

Synonyms

2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium iodide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

High affinity non-peptide CXCR3 agonist.

Specifications

Synonymes

2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium iodide

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

High affinity non-peptide CXCR3 agonist (pKi= 7.2).

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.

Type d'action

AGONIST

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528767670

Sourires canoniques

CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4Br)C.[I-]

IUPAC Name

[4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium;iodide

InChIKey

IXXWHYDKYNWDKJ-IUQUCOCYSA-M

INCHI

1S/C25H31BrN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1/t21-,23-;/m0./s1

Isomères SMILES

CC1([C@H]2CC=C([C@@H]1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4Br)C.[I-]

PubChem CID

71459294

Poids moléculaire

552.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Brominated biphenyls
• Alternative Parents: Bicyclic monoterpenoids Aromatic monoterpenoids Phenylmethylamines Benzylamines Bromobenzenes Aralkylamines Aryl bromides Tetraalkylammonium salts Organobromides Organic iodide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Brominated biphenyl - Aromatic monoterpenoid - Bicyclic monoterpenoid - Pinane monoterpenoid - Monoterpenoid - Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Tetraalkylammonium salt - Quaternary ammonium salt - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine 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

Cibles associées (humaines)

CXCR3 Tchem C-X-C chemokine receptor type 3 (1 Activities)

Discover Target: CXCR3

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 55.23, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.52, Max Conc. mM: 10 with gentle warming