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| Targets |
HIV
DDX3-IN-2 targets DEAD-box RNA helicase 3 (DDX3), an ATP-dependent RNA helicase that plays critical roles in RNA metabolism, cell cycle regulation, and antiviral responses. DDX3 is involved in the unwinding of RNA secondary structures, which is essential for RNA processing, translation, and viral replication. By inhibiting DDX3, DDX3-IN-2 blocks viral replication and has broad-spectrum antiviral activity. The compound has the potential to overcome HIV resistance. |
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| 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].
In vitro studies demonstrate that DDX3-IN-2 inhibits DDX3 with an IC50 of 0.3 μM. The compound shows a broad spectrum of antiviral activity and has the potential to overcome HIV resistance. DDX3-IN-2 is a potent and selective inhibitor of DDX3. The compound is used in antiviral and HIV research. No detailed EC50 values against specific viruses have been published in the available literature. |
| 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].
No detailed in vivo activity data has been published for DDX3-IN-2. The compound has been primarily characterized in vitro as an antiviral agent. Its ability to inhibit DDX3 with an IC50 of 0.3 μM and its broad-spectrum antiviral activity suggest that it could have potential for in vivo applications in treating viral infections, including HIV. Further studies would be needed to evaluate its efficacy in animal models of viral infection. |
| Enzyme Assay |
The DDX3 inhibitory activity of DDX3-IN-2 can be assessed using in vitro helicase assays. In a typical assay, recombinant DDX3 protein is incubated with a RNA substrate, ATP, and varying concentrations of DDX3-IN-2. The unwinding of the RNA substrate is measured, and the IC50 is calculated. The IC50 for DDX3 inhibition is 0.3 μM. The specificity of DDX3-IN-2 for DDX3 over other RNA helicases can be confirmed using similar assays.
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| Cell Assay |
The antiviral activity of DDX3-IN-2 is assessed using virus-infected cell lines. In a typical assay, cells are infected with viruses such as HIV or dengue virus and treated with varying concentrations of DDX3-IN-2. Viral replication is measured by quantifying viral RNA using qRT-PCR or by measuring viral protein expression. Cytotoxicity is assessed in uninfected cells using MTT assays. The compound's broad-spectrum antiviral activity can be assessed against a panel of viruses.
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| 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. No detailed in vivo animal model data has been published for DDX3-IN-2. The compound has been primarily characterized in vitro as an antiviral agent. Future studies may involve the use of mouse models of HIV or dengue virus infection to assess the in vivo efficacy of DDX3-IN-2. |
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data has been published for DDX3-IN-2. The compound has a molecular weight of 349.43 and a molecular formula of C20H23N5O. It has a purity of ≥99%. The compound appears as an off-white to gray solid powder. Further studies would be needed to characterize its absorption, distribution, metabolism, and excretion properties, including oral bioavailability, plasma protein binding, clearance, and half-life.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for DDX3-IN-2. As a DDX3 inhibitor, the compound may have on-target effects on RNA metabolism in normal cells. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. The compound is intended for research use only.
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| References | |
| Additional Infomation |
DDX3-IN-2 (CAS# 1919828-81-1) is a potent and selective inhibitor of DEAD-box RNA helicase 3 (DDX3) with an IC50 of 0.3 μM. The compound has broad-spectrum antiviral activity and the potential to overcome HIV resistance. It is used in antiviral and HIV research. The molecular formula is C20H23N5O and molecular weight is 349.43. DDX3-IN-2 is a research tool for studying DDX3 function and developing antiviral therapies.
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| Molecular Formula |
C20H23N5O
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|---|---|
| Molecular Weight |
349.429523706436
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| Exact Mass |
349.19
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| CAS # |
1919828-81-1
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| PubChem CID |
122455309
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| Appearance |
Off-white to gray solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
26
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| Complexity |
438
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N(C1=CC=C(N2C=C(CCCC)N=N2)C=C1)C(NC1=CC=CC=C1C)=O
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| InChi Key |
LZPQWTRWEKFHPZ-UHFFFAOYSA-N
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| 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)
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| Chemical Name |
1-[4-(4-butyltriazol-1-yl)phenyl]-3-(2-methylphenyl)urea
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : 100 mg/mL (286.18 mM)
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| 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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