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DDX3-IN-2

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Category Human immunodeficiency Virus (HIV)
CAS 1919828-81-1
Description DDX3-IN-2 is an active DEADbox polypeptide 3 (DDX3) inhibitor (IC50 = 0.3 μM) with broad spectrum antiviral activity and the potential to overcome HIV resistance.
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Product Information

Synonyms Urea, N-[4-(4-butyl-1H-1,2,3-triazol-1-yl)phenyl]-N'-(2-methylphenyl)-; 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(o-tolyl)urea
IUPAC Name 1-[4-(4-butyltriazol-1-yl)phenyl]-3-(2-methylphenyl)urea
Molecular Weight 349.43
Molecular Formula C20H23N5O
Canonical SMILES CCCCC1=CN(N=N1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C
InChI 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)
InChIKey LZPQWTRWEKFHPZ-UHFFFAOYSA-N
Purity ≥98% (HPLC)
Solubility In Vitro:
DMSO : 100 mg/mL(286.18 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 90%corn oil
Solubility: ≥ 2.5 mg/mL (7.15 mM); Clear solution
Appearance Off-white to gray (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 438
Exact Mass 349.19026037
In Vitro DDX3-IN-2 behaves as a competitive inhibitor with respect to the RNA substrate, which can be seen by the decrease in its inhibition potency as a function of increasing RNA substrate concentrations. DDX3-IN-2 is found to be completely inactive against the ATPase of DDX3, DDX1 helicase, and DENV NS3 helicase.
In Vivo DDX3-IN-2 (20 mg/kg; tail vein injection) possesses excellent biocompatibility, and Wistar rats shows a good tolerance to the dose of 20 mg/kg. DDX3-IN-2 (10 mg/kg; i.v. bolus injection; 0~25 hours) rapidly eliminates the half-life elimination and the plasmatic clearance values.
Result: Rapidly eliminated the half-life elimination and the plasmatic clearance values.
Target HIV
XLogP3-AA 4

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