Anguizole is a small molecule inhibitor of HCV (hepatitis C virus) replication that changes the subcellular distribution of NS4B.

Physicochemical Properties

Molecular Formula	C17H11N4O2F2SCL
Molecular Weight	408.80964
Exact Mass	408.026
CAS #	442666-98-0
PubChem CID	1046082
Appearance	Light yellow to yellow solid powder
LogP	4.843
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	27
Complexity	561
Defined Atom Stereocenter Count	0
InChi Key	GBNREAYNZPJROB-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H11ClF2N4O2S/c18-17(19,20)14-7-11(13-4-1-5-26-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-2-6-27-10/h1-8H,9H2,(H,21,25)
Chemical Name	7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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

References

[1]. A small molecule inhibits HCV replication and alters NS4B's subcellular distribution Antiviral Research (2010), 87(1), 1-8. [2]. Identification of a class of HCV inhibitors directed against the nonstructural protein NS4B. Science Translational Medicine (2010), 2(15), No pp. given.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~122.31 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.12 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4461 mL	12.2306 mL	24.4612 mL
	5 mM	0.4892 mL	2.4461 mL	4.8922 mL
	10 mM	0.2446 mL	1.2231 mL	2.4461 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.