Trovirdine inhibits HIV-1 reverse transcription with IC50 of 7 nM.

Physicochemical Properties

Molecular Formula	C13H13BRN4S
Molecular Weight	337.24
Exact Mass	336.004
CAS #	149488-17-5
Related CAS #	148311-89-1 (HCl);
PubChem CID	3000870
Appearance	White to off-white solid powder
Density	1.539g/cm3
Boiling Point	450.6ºC at 760mmHg
Vapour Pressure	2.61E-08mmHg at 25°C
Index of Refraction	1.696
LogP	3.232
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	19
Complexity	290
Defined Atom Stereocenter Count	0
InChi Key	HOCFDYZWQYGULA-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
Chemical Name	1-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethyl)thiourea
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]. Inhibition of human immunodeficiency virus type 1 wild-type and mutant reverse transcriptases by the phenyl ethylthiazolyl thiourea derivatives trovirdine and MSC-127. [2]. Phenethylthiazolylthiourea (PETT) compounds as a newclass of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs.
Additional Infomation	Trovirdine is a thiourea non-nucleoside reverse transcriptase inhibitor.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (296.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.41 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 (7.41 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	2.9652 mL	14.8262 mL	29.6525 mL
	5 mM	0.5930 mL	2.9652 mL	5.9305 mL
	10 mM	0.2965 mL	1.4826 mL	2.9652 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.