1,2,4,5-Benzenetetramine tetrahydrochloride (Y15) - Moligand™, 10mM in DMSO , CAS No.4506-66-5

CAS: 4506-66-5 Cat. No.: B424050 Molecular Weight: 284.02 EC Number: 224-822-6 PubChem CID: 78260

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

FAK inhibitor Y15 | Benzene-1,2,4,5-tetraaminetetrahydrochloride | Maybridge4_002581 | EINECS 224-822-6 | Y15 tetrahydrochloride | 1,2,4,5-Benzenetetramine, tetrahydrochloride | 1,2,4,5-Benzenetetramine tetrahydrochloride | UNII-7HZE16210B | BZDGCIJWPWHAO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

1,2,4,5-Benzenetetraminetetrahydrochloride is widely used as a novel source of carbon and nitrogen insynthesizing benzimidazole-linked polymers and carbon dot nanomaterials.

Application：

1,2,4,5-Benzenetetramine tetrahydrochloride can be used as a precursor in the synthesis of:
A pyrene-based benzimidazole-linked polymer by the co-condensation with 1,3,6,8-tetrakis(4-formylphenyl)pyrene in dimethylformamide.
Triazine-based benzimidazole-linked polymers for highly selective CO2 capture.
Nitrogen-doped carbon dots (NCDs) by simple hydrothermal method, applicable as a highly selective fluorescent probe for sensing Mg2+ ions in an aqueous solution.
Red-emitting carbon dots via the solvothermal method.

Specifications

Synonyms

FAK inhibitor Y15 | Benzene-1, 2, 4, 5-tetraaminetetrahydrochloride | Maybridge4_002581 | EINECS 224-822-6 | Y15 tetrahydrochloride | 1, 2, 4, 5-Benzenetetramine, tetrahydrochloride | 1, 2, 4, 5-Benzenetetramine tetrahydrochloride | UNII-7HZE16210B | BZDGCIJWPWHAO

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Selective focal adhesion kinase (FAK) autophosphorylation inhibitor (IC 50 = 1 μM). No significant activity at other kinases including EGFR, PDGFR and IGF-RI. Increases cell detachment and inhibits cell adhesion in cancer cells. Anticancer agent.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: C1=C(C(=CC(=C1N)N)N)N.Cl.Cl.Cl.Cl
• IUPAC Name: benzene-1,2,4,5-tetramine;tetrahydrochloride
• InChIKey: BZDGCIJWPWHAOF-UHFFFAOYSA-N
• INCHI: 1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
• Isomeric SMILES: C1=C(C(=CC(=C1N)N)N)N.Cl.Cl.Cl.Cl
• PubChem CID: 78260
• Molecular Weight: 284.02

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemical and Physical Properties

• Molecular Weight: 284.000 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 283.994 Da
• Monoisotopic Mass: 281.997 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 90.300
• 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: 5

XLogP3

References

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