CD39-IN-1
Based on 1 Customer Validation
CD39-IN-1 is a selective CD39 inhibitor with an IC50 value of 68.7 nM. CD39-IN-1 exerts antiproliferative effects on tumor cells and shows low toxicity to normal cell lines. CD39-IN-1 inhibits CD39-mediated eATP hydrolysis in the ATP-adenosine pathway. CD39-IN-1 is applicable for tumor-related research.
For research use only. We do not sell to patients.
- Purity: 99.86%
- CAS No.: 3097380-98-5
- Formula: C29H23FN4O3
- Molecular Weight:494.52
-
Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
-
Biological Activity
-
Chemical Information
-
Solvent & Solubility
- Purity & Documentation
- References
-
Help & FAQs
Biological Activity
CD39-IN-1 (compound 338) exerts moderate antiproliferative effects on MGC-803, A549, HepG2, MCF-7 and EC-109 tumor cells after 48 h, and shows low cytotoxicity against normal HUVEC cells[1].
CD39-IN-1 exhibits favorable predicted ADMET properties, including compliance with Lipinski's rules, good oral bioavailability, and no acute oral toxicity, which supports its potential druggability[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
-
Cell Line:MGC-803, A549, HepG2, MCF-7, EC-109 tumor cell lines; HUVEC normal cell line
-
Concentration:/
-
Incubation Time:48 h
-
Result:Demonstrated moderate anti-proliferative activity across tumor cell lines: IC50 values were 2.5 μM for MGC-803, 3.6 μM for A549, 10.6 μM for HepG2, 8.8 μM for MCF-7, and 2.5 μM for EC-109.
Showed low toxicity to normal HUVEC cells, with an IC50 value >50 μM.
Chemical Information
-
CAS No. 3097380-98-5
-
Appearance Solid
-
Molecular Weight 494.52
-
Formula C29H23FN4O3
-
Color White to off-white
-
SMILES
CN1C(C(NC2=CC=C(F)C(C(NC)=O)=C2C3=CN=C(OC4=CC=CC=C4)C=C3)=O)=CC5=CC=CC=C51
-
Shipping
Room temperature in continental US; may vary elsewhere.
-
Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (202.22 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (5.06 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Please enter the basic information of animal experiments:
-
-
-
-
Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
-
%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
-
%+
-
+%Tween-80 + +
-
%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
-
Data Sheet (278 KB)
-
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
-
Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.0222 mL | 10.1108 mL | 20.2216 mL | 50.5541 mL |
| 5 mM | 0.4044 mL | 2.0222 mL | 4.0443 mL | 10.1108 mL | |
| 10 mM | 0.2022 mL | 1.0111 mL | 2.0222 mL | 5.0554 mL | |
| 15 mM | 0.1348 mL | 0.6741 mL | 1.3481 mL | 3.3703 mL | |
| 20 mM | 0.1011 mL | 0.5055 mL | 1.0111 mL | 2.5277 mL | |
| 25 mM | 0.0809 mL | 0.4044 mL | 0.8089 mL | 2.0222 mL | |
| 30 mM | 0.0674 mL | 0.3370 mL | 0.6741 mL | 1.6851 mL | |
| 40 mM | 0.0506 mL | 0.2528 mL | 0.5055 mL | 1.2639 mL | |
| 50 mM | 0.0404 mL | 0.2022 mL | 0.4044 mL | 1.0111 mL | |
| 60 mM | 0.0337 mL | 0.1685 mL | 0.3370 mL | 0.8426 mL | |
| 80 mM | 0.0253 mL | 0.1264 mL | 0.2528 mL | 0.6319 mL | |
| 100 mM | 0.0202 mL | 0.1011 mL | 0.2022 mL | 0.5055 mL |
Powered by Bioz