1,4,5-Tetraaminobenzene tetrahydrochloride

Base Information

• Chemical Name: 1,4,5-Tetraaminobenzene tetrahydrochloride
• CAS No.: 4506-66-5
• Molecular Formula: C6H10N4^.4(HCl)
• Molecular Weight: 284.016
• Hs Code.: 2921590090
• NSC Number: 118095,667249
• ChEMBL ID: CHEMBL456559
• Mol file: 4506-66-5.mol

Synonyms:NSC667249;CHEMBL456559;SCHEMBL9297339;NSC118095;AKOS015889180;NSC-118095;NSC-667249;1,4,5-Tetraaminobenzene tetrahydrochloride;1,4,5-Benzenetetramine, tetrahydrochloride

Chemical Property of 1,4,5-Tetraaminobenzene tetrahydrochloride

Chemical Property:

• Appearance/Colour: dark brown crystals
• Vapor Pressure: 1.23E-06mmHg at 25°C
• Melting Point: ≥300 °C
• Refractive Index: 1.827
• Boiling Point: 400.9 °C at 760 mmHg
• Flash Point: 233.6 °C
• PSA: 104.08000
• Density: 1.401g/cm³
• LogP: 5.54820
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: soluble20mg/mL, clear
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 174.0672241
• Heavy Atom Count: 11
• Complexity: 90.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

FAK Inhibitor 14 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)N)N)N.Cl
• Description: FAK inhibitor 14 (4506-66-5) is a selective focal adhesion kinase (FAK) inhibitor that displays no significant activity at a range of other kinases including EGFR, PDGFR and IGF-R.1 Prevents FAK autophosphorylation at Y397 (IC50 = 1 μM), promotes cell detachment and inhibits cell adhesion in vitro. FAK inhibitor 14 exhibits antiproliferative activity in a variety of human tumor cell lines in vitro and in breast cancer cells in vivo. Induces regression of pancreatic tumors2 and glioblastoma3. Displays antiangiogenic activity.4
• Uses: FAK Inhibitor 14 directly blocks phosphorylation of focal adhesion kinase (FAK) in a dose- and time-dependent manner and has also shown breast tumor regression in vivo. It has been suggested that targeting the Y397 site of FAK with FAK Inhibitor 14 can be effectively used in cancer therapy. FAK Inhibitor 14 has been used in the metastasis assay. It is also used to study its effect on bone morphogenetic protein 7 (BMP-7)-induced cell crawling and adhesion.

Technology Process of 1,4,5-Tetraaminobenzene tetrahydrochloride

There total 1 articles about 1,4,5-Tetraaminobenzene tetrahydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

1,3-diamino-4,6-dinitrobenzene (4987-96-6) → 1,2,4,5-benzenetetraamine tetrahydrochloride (4506-66-5)

Guidance literature:

1,3-diamino-4,6-dinitrobenzene; With tin; Degussa F₁₀₁ catalyst; hydrogen; In ethanol; at 80.5 ℃; for 2h; under 15514.9 Torr; Autoclave; Inert atmosphere;

With hydrogenchloride; In ethanol; water; at 15 ℃;

Reference yield: 100.0%

1,2,4,5-benzenetetraamine tetrahydrochloride (4506-66-5) + 2-chloro-1,3-dimethylimidazolinium chloride (37091-73-9) → N1,N2,N4,N5-tetrakis(1,3-dimethylimidazolidin-2-ylidene)benzene-1,2,4,5-tetraamine (1258956-31-8)

Guidance literature:

With triethylamine; In acetonitrile; at 0 ℃; for 1.5h; Inert atmosphere;

Reference yield: 100.0%

dipotassium 2,5-dihydroxyterephthalate + 1,2,4,5-benzenetetraamine tetrahydrochloride (4506-66-5) → 1,2,4,5-tetraminobenzene 2,5-dihydroxyterephthalic acid (957471-31-7)

Guidance literature:

With tin; sodium dithionite; sodium hydroxide; In water; at 15 - 55 ℃; for 2.25h; Product distribution / selectivity; Inert atmosphere;

upstream raw materials:

1,3-diamino-4,6-dinitrobenzene

Downstream raw materials:

quinoxaline-6,7-diyldiamine

1,2,4,5-tetraacetamidobenzene

1,2,4,5-tetrakis(dimethylamino)benzene

2,7-diphenylpyrazino<2,3-g>quinoxaline

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF AROMATIC AZOLE COMPOUNDS". Paragraph 0073-0075. . Retrieved 2014/03/25.