5-(N,N-Hexamethylene)-amiloride

Category	Human immunodeficiency Virus (HIV)
CAS	1428-95-1
Description	5-(N,N-Hexamethylene)-amiloride derives from an amiloride and is a potent Na+/H+ exchanger inhibitor, which decreases the intracellular pH (pHi) and induces apoptosis in leukemic cells. It is also an inhibitor of the HIV-1 Vpu virus ion channel and inhibits mouse hepatitis virus (MHV) replication and human coronavirus 229E (HCoV229E) replication in cultured L929 cells with EC50s of 3.91 μM and 1.34 μM, respectively.

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Synonyms	Hexamethylene amiloride; HMA
Molecular Weight	311.77
Molecular Formula	C12H18ClN7O
Canonical SMILES	C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N
InChI	InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
InChIKey	RQQJJXVETXFINY-UHFFFAOYSA-N
Boiling Point	638.2°C at 760mmHg
Flash Point	339.8°C
Purity	0.98
Density	1.63g/cm3
Solubility	In Vitro: DMSO : 100 mg/mL(320.75 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (6.67 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.08 mg/mL (6.67 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% corn oil Solubility: ≥ 2.08 mg/mL (6.67 mM); Clear solution
Appearance	Solid Powder
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Exact Mass	311.12600
Index Of Refraction	1.742
PSA	136.51000
Target	Sodium Channel; HIV; Apoptosis
Vapor Pressure	3.47E-16mmHg at 25°C