5-(N,N-Hexamethylene)amiloride

Base Information

• Chemical Name: 5-(N,N-Hexamethylene)amiloride
• CAS No.: 1428-95-1
• Molecular Formula: C12H18 Cl N7 O
• Molecular Weight: 311.77
• Hs Code.: 2934999090
• European Community (EC) Number: 634-319-7
• DSSTox Substance ID: DTXSID10162188
• Nikkaji Number: J240.201G
• Wikidata: Q27073995
• Pharos Ligand ID: Y4UTKBX7MCY4
• ChEMBL ID: CHEMBL501701
• Mol file: 1428-95-1.mol

Synonyms:3-amino-6-chloro-5-(1-homopiperidyl)-N-(diaminomethylene)pyrazinecarboxamide;5-(N,N-hexamethylene)amiloride;5-HMA;hexamethylene amiloride;hexamethyleneamiloride;HMA-5

Chemical Property of 5-(N,N-Hexamethylene)amiloride

Chemical Property:

• Vapor Pressure: 3.47E-16mmHg at 25°C
• Melting Point: 224-225 °C
• Boiling Point: 638.2°Cat760mmHg
• PKA: 8.81±0.46(Predicted)
• Flash Point: 339.8°C
• PSA: 136.51000
• Density: 1.63g/cm³
• LogP: 2.55300
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 311.1261359
• Heavy Atom Count: 21
• Complexity: 393

Purity/Quality:

99% ^*data from raw suppliers

5-(N,N-Hexamethylene)amiloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N
• Recent ClinicalTrials: Influence of Molecular Abnormalities on Response of VAH vs. VEN+HMA in RR-AML
• Description: 5-(N,N-hexamethylene)-Amiloride (HMA) is a derivative of amiloride with diverse biological activities. It is an allosteric antagonist of adenosine A2A receptors (Ki = 3.3 μM). HMA inhibits the cation-selective ion channel formed by the HIV-1 viral protein Vpu when used at a concentration of 50 μM, as well as budding of virus-like particles in HeLa cells expressing the HIV-1 proteins Gag and Vpu when used at a concentration of 10 μM. It also blocks the cation-selective ion channels formed by the hepatitis C virus (HCV) protein p7. HMA (40 μM) induces necrosis in and reduces the viability of MCF-7, MDA-MB-231, T47D, SK-BR-3, Met-1, and NDL breast cancer cells but not cardiomyocytes or uterine, pulmonary, and renal epithelial cells. HMA protects against post-ischemic contractile dysfunction and reduces coronary effluent creatine phosphokinase activity in a model of ischemia-reperfusion injury using isolated rat right ventricular free walls.