DG-041 is a potent, high-affinity, selective EP3 receptor blocker (antagonist) with IC50s of 4.6 nM and 8.1 nM in binding and FLIPR assays, respectively. DG-041 inhibits PGE2 and promotes platelet aggregation. DG-041 can cross the BBB (blood-brain barrier).

Physicochemical Properties

Molecular Formula	C23H15CL4FN2O3S2
Molecular Weight	592.3
Exact Mass	589.926
CAS #	861238-35-9
PubChem CID	11296282
Appearance	Light yellow to green yellow solid powder
LogP	9.251
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	35
Complexity	908
Defined Atom Stereocenter Count	0
SMILES	CC1=CN(C2=C(C=C(C=C12)F)/C=C/C(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl
InChi Key	BFBTVZNKWXWKNZ-HWKANZROSA-N
InChi Code	InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Chemical Name	(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide
Synonyms	DG041; DG 041; DG-041
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	TP pins (IC50=742 nM), EP1 (IC50=486 nM), and DP1 (IC50=131 nM) make up DG-041[1].
ln Vivo	DG-041, administered intravenously at 1.78 mg/kg or bucally at 9.62 mg/kg, had a t1/2 of 2.7 hours and a Cmax of 2.74 μM and 9.46 μM, respectively. 1250 mL/h/kg is the intravenous injection CL [
Animal Protocol	Animal/Disease Models: Male Sprague Dawley rat [1] Doses: 1.78 mg/kg (intravenous) or 9.62 mg/kg (oral) Route of Administration: intravenous (iv) (iv)or oral Experimental Results: t1/2 is 2.7 hrs (hrs (hours)), 4.06 hrs (hrs (hours)) and Cmax is 9.46 1]. intravenous (iv) (iv)injection and oral administration are μM and 2.74 μM respectively.
References	[1]. Antagonists of the EP3 receptor for prostaglandin E2 are novel antiplatelet agents that do not prolong bleeding. ACS Chem Biol. 2009 Feb 20;4(2):115-26. [2]. Heterocyclic 1,7-disubstituted indole sulfonamides are potent and selective human EP3 receptorantagonists. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6797-800.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~422.07 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.51 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 20.8 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.6883 mL	8.4417 mL	16.8833 mL
	5 mM	0.3377 mL	1.6883 mL	3.3767 mL
	10 mM	0.1688 mL	0.8442 mL	1.6883 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.