HZ-1157 can inhibit HCV (hepatitis C virus) NS3/4A protease with IC50 of 1.0 μmol/L. HZ-1157 (4a) has high activity against Gordon virus (EC50 = 0.15 μM) without obvious toxicity.

Physicochemical Properties

Molecular Formula	C12H16N4O
Molecular Weight	232.287
Exact Mass	232.132
Elemental Analysis	C, 62.05; H, 6.94; N, 24.12; O, 6.89
CAS #	1009734-33-1
PubChem CID	24778294
Appearance	White to light yellow solid powder
Density	1.2±0.1 g/cm3
Boiling Point	471.6±53.0 °C at 760 mmHg
Flash Point	239.0±30.9 °C
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.658
LogP	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Complexity	266
Defined Atom Stereocenter Count	0
SMILES	O(C1=CC=CC2C1=C(N)N=C(N)N=2)C(C)(C)C
InChi Key	JQHKDYFLRJIBLX-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H16N4O/c1-12(2,3)17-8-6-4-5-7-9(8)10(13)16-11(14)15-7/h4-6H,1-3H3,(H4,13,14,15,16)
Chemical Name	5-(1,1-Dimethylethoxy)- 2,4-quinazolinediamine
Synonyms	HZ-1157; HZ 1157; HZ1157. Dengue Virus Inhibitor II.
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Numerous biological actions of HZ-1157 (4a) are known to exist, including dihydrofolate reductase inhibition, SMN2 promoter activation, and inhibition of protein lysine methyltransferase G9a[1][2].
Cell Assay	Cell viability assay [2]. Cell Types: HZ-1157 (4a) is known to have a wide range of biological activities, such as protein lysine methyltransferase G9a inhibition, SMN2 promoter activation, dihydrofolate reductase inhibition, etc. Tested Concentrations: 0-10μmol/L. Incubation Duration: 72 hrs (hours). Experimental Results: Inhibited HCV infection in vitro, IC50 was 0.82 μmol/L.
References	[1]. Discovering Novel anti-HCV Compounds With Inhibitory Activities Toward HCV NS3/4A Protease. Acta Pharmacol Sin. 2014 Aug;35(8):1074-81. [2]. Discovery and Optimization of 2,4-diaminoquinazoline Derivatives as a New Class of Potent Dengue Virus Inhibitors. J Med Chem . 2012 Apr 12;55(7):3135-43.

Solubility Data

Solubility (In Vitro)

DMSO : ~20 mg/mL (~86.10 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2 mg/mL (8.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2 mg/mL (8.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2 mg/mL (8.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2 mg/mL (8.61 mM)  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.3050 mL	21.5248 mL	43.0496 mL
	5 mM	0.8610 mL	4.3050 mL	8.6099 mL
	10 mM	0.4305 mL	2.1525 mL	4.3050 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.