NITD-2 is an inhibitor of the dengue virus (DENV) polymerase that prevents the DENV RdRp protein from causing RNA elongation. The permeability of NITD-2's cell membrane is low.

Physicochemical Properties

Molecular Formula	C23H19N3O4S
Molecular Weight	433.4797
Exact Mass	433.11
Elemental Analysis	C, 63.73; H, 4.42; N, 9.69; O, 14.76; S, 7.40
CAS #	1197896-79-9
PubChem CID	44607341
Appearance	Off-white to light yellow solid powder
LogP	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	31
Complexity	704
Defined Atom Stereocenter Count	0
InChi Key	PHQOBFYGHBBCBV-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H19N3O4S/c27-23(28)21-11-4-5-12-22(21)25-31(29,30)20-10-6-9-18(13-20)19-14-24-26(16-19)15-17-7-2-1-3-8-17/h1-14,16,25H,15H2,(H,27,28)
Chemical Name	2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoic acid
Synonyms	NITD2; NITD 2; NITD-2
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	NITD-2 prevents the creation of new RNA [1]. The lack of antiviral action shown by NITD-2 in cell culture was caused by inadequate cell penetration[1].
References	[1]. Inhibition of dengue virus polymerase by blocking of the RNA tunnel. J Virol. 2010 Jun;84(11):5678-86.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~230.7 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.77 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	2.3069 mL	11.5346 mL	23.0691 mL
	5 mM	0.4614 mL	2.3069 mL	4.6138 mL
	10 mM	0.2307 mL	1.1535 mL	2.3069 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.