HIV-1 integrase inhibitor may be utilized to fight HIV. HIV-1 integrase inhibitor is a reagent for click chemistry. It has an Azide (N3) moiety and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing an Alkyne group. SPAAC (Strain-promoted alkyne-azide cycloaddition) may also happen with compounds bearing a BCN or DBCO group.

Physicochemical Properties

Molecular Formula	C11H9N3O4
Molecular Weight	247.20686
Exact Mass	247.059
CAS #	544467-07-4
Related CAS #	LEDGIN6;957890-42-5
PubChem CID	5496124
Appearance	Light yellow to yellow solid powder
LogP	1.658
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	18
Complexity	413
Defined Atom Stereocenter Count	0
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]. Hobaika, Z.; Zargarian, L.; Maroun, R. G.; Mauffret, O.; Burke, T. R., Jr.; Fermandjian, S. HIV-1 Integrase and Virus and Cell DNAs: Complex Formation and Perturbation by Inhibitors of Integration. Neurochemical Research (2010), 35(6), 888-893. [2]. Loizidou, Eriketi Z.; Zeinalipour-Yazdi, Constantinos D.; Christofides, Tasos; Kostrikis, Leondios G. Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance. Bioorganic & Medicinal Chemistry (2009), 17(13), 4806-4818. [3]. Kawasuji T.Carbamoyl Pyridone HIV-1 Integrase Inhibitors. 1. Molecular Design and Establishment of an Advanced Two-Metal Binding Pharmacophore.J Med Chem. 2012 Sep 10. [4]. Yan A, Xuan S, Hu X.Classification of Active and Weakly Active ST Inhibitors of HIV-1 Integrase Using a Support Vector Machine.Comb Chem High Throughput Screen. 2012 Aug 28. [5]. Yu S, Zhao G.Development of Polyphenols as HIV-1 Integrase Inhibitors: A Summary and Perspective.Curr Med Chem. 2012 Aug 27.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~404.51 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.11 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 25.0 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: ≥ 2.5 mg/mL (10.11 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	4.0451 mL	20.2257 mL	40.4514 mL
	5 mM	0.8090 mL	4.0451 mL	8.0903 mL
	10 mM	0.4045 mL	2.0226 mL	4.0451 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.