(+)-JNJ-A07 is a potent pan-serotype dengue virus inhibitor targeting the NS3-NS4B interaction. (+)-JNJ-A07 exerted nanomolar to picomolar activity against 21 clinical isolates. (+)-JNJ-A07 has good pharmacokinetic characteristics and has significant efficacy against dengue virus infection in mouse infection models.

Physicochemical Properties

Molecular Formula	C28H26CLF3N2O6
Molecular Weight	578.96
Exact Mass	578.143
CAS #	2135640-93-4
Related CAS #	(-)-JNJ-A07;2135640-92-3
PubChem CID	131964318
Appearance	White to light brown solid powder
LogP	6.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	40
Complexity	843
Defined Atom Stereocenter Count	0
SMILES	N1(CCC2=C1C=C(C=C2)OC(F)(F)F)C(C(C1=CC=C(C=C1)Cl)NC1=CC(OCCCC(O)=O)=CC(=C1)OC)=O
InChi Key	WUBVXTOLZKVNEG-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H26ClF3N2O6/c1-38-22-13-20(14-23(15-22)39-12-2-3-25(35)36)33-26(18-4-7-19(29)8-5-18)27(37)34-11-10-17-6-9-21(16-24(17)34)40-28(30,31)32/h4-9,13-16,26,33H,2-3,10-12H2,1H3,(H,35,36)
Chemical Name	4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid
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	(+)- JNJ-A07 possesses a high resistance barrier that stops two viral proteins (NS3 and NS4B) from interacting to create viral replication complexes [1].
References	[1]. A pan-serotype dengue virus inhibitor targeting the NS3-NS4B interaction [published correction appears in Nature. 2021 Nov;599(7883):E2]. Nature. 2021;598(7881):504-509.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (172.72 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.32 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 (4.32 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	1.7272 mL	8.6362 mL	17.2724 mL
	5 mM	0.3454 mL	1.7272 mL	3.4545 mL
	10 mM	0.1727 mL	0.8636 mL	1.7272 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.