MSX-130 - ≥98% , CAS No.4051-59-6

CAS: 4051-59-6 Cat. No.: M412306 Formula: C₃₆H₂₆N₄ Molecular Weight: 514.62

GRADE & PURITY ≥98%

Synonyms

1,4-bis(4,5-diphenyl-1H-imidazol-2-yl)benzene

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

MSX-130 MSX-130 is an antagonist of C-X-C chemokine receptor type 4 (CXCR4) .

Targets

CXCR4

Specifications

Synonyms

1,4-bis(4,5-diphenyl-1H-imidazol-2-yl)benzene

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

MSX-130 is an antagonist of C-X-C chemokine receptor type 4 (CXCR4).

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763052
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763052
• Canonical Smiles: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C4=NC(=C(N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
• IUPAC Name: 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
• InChIKey: MKRQQXYFSWSAIS-UHFFFAOYSA-N
• INCHI: 1S/C36H26N4/c1-5-13-25(14-6-1)31-32(26-15-7-2-8-16-26)38-35(37-31)29-21-23-30(24-22-29)36-39-33(27-17-9-3-10-18-27)34(40-36)28-19-11-4-12-20-28/h1-24H,(H,37,38)(H,39,40)
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C4=NC(=C(N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
• Molecular Weight: 514.62
• Reaxy-Rn: 633424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=633424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: 2,4,5-trisubstituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylimidazole - 5-phenylimidazole - 2-phenylimidazole - Trisubstituted imidazole - 2,4,5-trisubstituted-imidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 3 mg/mL (5.82 mM); Water: Insoluble; Ethanol: Insoluble
• Molecular Weight: 514.600 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 514.216 Da
• Monoisotopic Mass: 514.216 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 691.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4051-59-6, the molecular formula is C36H26N4, and the molecular weight is 514.62 g/mol. InChIKey MKRQQXYFSWSAIS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.