DDX3-IN-2 is an active DEADbox polypeptide 3 (DDX3) inhibitor (antagonist) with IC50 of 0.3 μM. DDX3-IN-2 displays broad-spectrum antiviral effect. DDX3-IN-2 may be used to overcome HIV drug resistance.

Physicochemical Properties

Molecular Formula	C20H23N5O
Molecular Weight	349.429523706436
Exact Mass	349.19
CAS #	1919828-81-1
PubChem CID	122455309
Appearance	Off-white to gray solid powder
LogP	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	26
Complexity	438
Defined Atom Stereocenter Count	0
SMILES	N(C1=CC=C(N2C=C(CCCC)N=N2)C=C1)C(NC1=CC=CC=C1C)=O
InChi Key	LZPQWTRWEKFHPZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H23N5O/c1-3-4-8-17-14-25(24-23-17)18-12-10-16(11-13-18)21-20(26)22-19-9-6-5-7-15(19)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,21,22,26)
Chemical Name	1-[4-(4-butyltriazol-1-yl)phenyl]-3-(2-methylphenyl)urea
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

Targets	HIV
ln Vitro	The fact that DDX3-IN-2's inhibitory potency decreases as RNA substrate concentrations rise indicates that it functions as a competitive inhibitor toward the substrate. When faced with the ATPase of DDX3, DDX1 helicase, and DENV NS3 helicase, DDX3-IN-2 is discovered to be entirely inactive[1].
ln Vivo	Excellent biocompatibility is exhibited by DDX3-IN-2 (20 mg/kg; tail vein injection), and Wistar rats exhibit good tolerance to the 20 mg/kg dose[1]. Half-life elimination and plasmatic clearance values are rapidly eliminated by DDX3-IN-2 (10 mg/kg; IV bolus injection; 0~25 hours)[1].
Animal Protocol	Animal/Disease Models: Wistar rats[1] Doses: Tail vein injection Route of Administration: 20 mg/kg Experimental Results: Possessed excellent biocompatibility, and Wistar rats demonstrated a good tolerance to the dose of 20 mg/kg. Animal/Disease Models: Rats[1] Doses: Iv bolus injection (pharmacokinetic/PK Analysis) Route of Administration: 10 mg/kg; 0~25 hrs (hours) Experimental Results: Rapidly eliminated the half-life elimination and the plasmatic clearance values.
References	[1]. Human DDX3 protein is a valuable target to develop broad spectrum antiviral agents. Proc Natl Acad Sci U S A. 2016;113(19):5388-5393.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (286.18 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.15 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	2.8618 mL	14.3090 mL	28.6180 mL
	5 mM	0.5724 mL	2.8618 mL	5.7236 mL
	10 mM	0.2862 mL	1.4309 mL	2.8618 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.