| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg | |||
| Other Sizes |
| Targets |
DDX3-IN-1 targets DEAD-box polypeptide 3 (DDX3), a multifunctional ATP-dependent RNA helicase involved in various cellular processes including RNA metabolism, translation, and cell cycle regulation. DDX3 plays critical roles in viral replication, particularly for RNA viruses such as HIV and HCV, as well as in cancer progression. DDX3-IN-1 inhibits DDX3 with an IC50 >100 microM. The compound exhibits antiviral activity against HIV and HCV, with EC50 values of >50 microM and >36 microM, respectively.
|
|---|---|
| ln Vitro |
In vitro, DDX3-IN-1 demonstrates antiviral activity against HIV and HCV. The compound shows cytotoxicity against HIV NL4-3-infected PBMCs with a CC50 of 50 microM and against HCV replicon-infected LucUbiNeo-ET cells with a CC50 of 36 microM. DDX3-IN-1 inhibits DDX3 with an IC50 >100 microM. The compound's antiviral effects are attributed to its inhibition of DDX3, which is essential for the replication of these RNA viruses. Further studies are needed to fully characterize its in vitro activity profile.
|
| ln Vivo |
Detailed in vivo activity data for DDX3-IN-1 are limited in publicly available literature. The compound has shown potential in preclinical studies for its anti-tumor and antiviral effects. As a DDX3 inhibitor, DDX3-IN-1 is being investigated for its therapeutic potential in viral infections and cancer. The compound's ability to inhibit DDX3, a host factor essential for the replication of several RNA viruses, suggests that it may have broad-spectrum antiviral activity. Further in vivo studies are needed to fully characterize its therapeutic potential.
|
| Enzyme Assay |
DDX3-IN-1 is not typically used in standard receptor binding assays. Its activity is assessed through enzymatic helicase assays or cell-based antiviral assays. In helicase assays, purified recombinant DDX3 protein is incubated with RNA substrates and ATP, and the unwinding activity is measured in the presence of varying concentrations of DDX3-IN-1. The compound's ability to inhibit DDX3 helicase activity is assessed, and IC50 values are calculated. Nonspecific activity is determined in control reactions without inhibitor.
|
| Cell Assay |
Cellular assays for DDX3-IN-1 are performed using HIV-infected PBMCs or HCV replicon cells. Cells are cultured in appropriate media and treated with DDX3-IN-1 at varying concentrations for defined time periods. Antiviral activity is assessed by measuring viral replication using methods such as p24 ELISA for HIV or luciferase assays for HCV replicon. Cytotoxicity is assessed using standard assays such as MTT or CellTiter-Glo to determine CC50 values. The compound's selectivity index is calculated from the ratio of CC50 to EC50.
|
| Animal Protocol |
In vivo studies with DDX3-IN-1 are conducted in animal models of viral infection or cancer. The compound is administered via appropriate routes at defined doses and schedules. For antiviral studies, viral load is measured in plasma and tissues. For cancer studies, tumor growth is monitored. Pharmacokinetic parameters are determined from plasma samples collected at various time points. The compound's anti-tumor and antiviral effects are being investigated in preclinical models.
|
| ADME/Pharmacokinetics |
DDX3-IN-1 has a molecular weight of 307.35 and a molecular formula of C17H17N5O. The compound is soluble in DMSO at 100 mg/mL (325.36 mM). It can be formulated for in vivo administration using 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline at 4 mg/mL (13.01 mM). The compound should be stored at low temperature, with powder stable at -20degC for 3 years and in solution at -80degC for 1 year.
|
| Toxicity/Toxicokinetics |
Comprehensive toxicology data for DDX3-IN-1 are not extensively documented in publicly available sources. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and adherence to institutional biosafety and chemical hygiene guidelines. The compound has a purity of ≥98%.
|
| References | |
| Additional Infomation |
DDX3-IN-1 (Compound 16f) is a small-molecule inhibitor of DEAD-box polypeptide 3 (DDX3) that exhibits antiviral activity against HIV and HCV. DDX3-IN-1 has shown potential in preclinical studies for its anti-tumor and antiviral effects, particularly against RNA viruses. Its specificity and efficacy make it a valuable tool for exploring DDX3's biological functions and developing novel therapeutic strategies in oncology and infectious disease research. DDX3-IN-1 is for research purposes only.
|
| Molecular Formula |
C17H17N5O
|
|---|---|
| Molecular Weight |
307.349782705307
|
| Exact Mass |
307.143
|
| CAS # |
1919828-83-3
|
| PubChem CID |
122455312
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
2.7
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
23
|
| Complexity |
396
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(NC1C=CC=CC=1C)NC1C=CC(=CC=1)N1C=C(C)N=N1
|
| InChi Key |
YIIUGRJFJAHCFZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C17H17N5O/c1-12-5-3-4-6-16(12)19-17(23)18-14-7-9-15(10-8-14)22-11-13(2)20-21-22/h3-11H,1-2H3,(H2,18,19,23)
|
| Chemical Name |
1-(2-methylphenyl)-3-[4-(4-methyltriazol-1-yl)phenyl]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)
|
| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~406.70 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.77 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 20.8 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: ≥ 2.08 mg/mL (6.77 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2536 mL | 16.2681 mL | 32.5362 mL | |
| 5 mM | 0.6507 mL | 3.2536 mL | 6.5072 mL | |
| 10 mM | 0.3254 mL | 1.6268 mL | 3.2536 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
