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

CAS: 1414376-84-3 Cat. No.: V288506 Molecular Weight: 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

Overview

High affinity non-peptide CXCR3 agonist.

Specifications

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 552.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

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)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 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