GS39783 is a positive allosteric modulator (PAM) of GABABR. Positive regulation of GABABR may be useful in the research/study of nicotine addiction.

Physicochemical Properties

Molecular Formula	C15H23N5O2S
Molecular Weight	337.44
Exact Mass	337.157
CAS #	39069-52-8
PubChem CID	6604928
Appearance	Light yellow to yellow solid powder
Density	1.3g/cm3
Boiling Point	561.9ºC at 760 mmHg
Flash Point	293.7ºC
Index of Refraction	1.614
LogP	4.484
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	23
Complexity	368
Defined Atom Stereocenter Count	0
InChi Key	GSGVDKOCBKBMGG-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
Chemical Name	4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine
Synonyms	GS 39783; GS-39783; GS39783
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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]. GABA B receptor allosteric modulators exhibit pathway-dependent and species-selective activity. Pharmacol Res Perspect. 2017 Mar 24;5(2):e00288.
Additional Infomation	N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine is an aryl sulfide.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~74.09 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	2.9635 mL	14.8174 mL	29.6349 mL
	5 mM	0.5927 mL	2.9635 mL	5.9270 mL
	10 mM	0.2963 mL	1.4817 mL	2.9635 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.