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

CAS: 1414376-84-3 Cat. No.: V288506 Peso molecular: 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

Descripción general

High affinity non-peptide CXCR3 agonist.

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 552.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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)

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 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