| Size | Price | |
|---|---|---|
| 1mg | ||
| 5mg | ||
| Other Sizes |
| ln Vitro |
In PC3 cells, JA2131 (10 mM; 1-2 h) causes hyperPARylation of PARP1[1]. At 10 μM for two weeks, JA2131 suppresses MCF-7, PC3, and MDA-MB-231 cell colony formation. At 0.1 μM-1 mM for seventy-two hours, it exhibits cytotoxicity, inhibiting MRC-50 cells with an IC50 value of 132 μM[1]. The viability of PC3 and A172 glioblastoma cells is inhibited by JA2131 (5 μM; 72 h)[1]. In HeLa cells, JA2131 (10 μM; 2 h) may be acting at the replication fork[1].
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: PC3, and A172 glioblastoma cells Tested Concentrations: 0.1 μM-10 mM Incubation Duration: 72 hrs (hours) Experimental Results: Inhibited cell viability with IC50s of 33.05 μM (PC3 cells) and 55.34 μM (A172 cells), respectively. |
| References |
|
| Molecular Formula |
C13H19N5O2S2
|
|---|---|
| Molecular Weight |
341.45
|
| Exact Mass |
341.098
|
| CAS # |
6505-99-3
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| PubChem CID |
4361023
|
| Appearance |
White to off-white solid powder
|
| Density |
1.48g/cm3
|
| Boiling Point |
562.5ºC at 760 mmHg
|
| Flash Point |
294ºC
|
| Index of Refraction |
1.704
|
| LogP |
0.691
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
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| Complexity |
446
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| Defined Atom Stereocenter Count |
0
|
| InChi Key |
XHNSOGDMSSHQFY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H19N5O2S2/c1-16-10-9(11(21)17(2)13(16)19)14-12(15-10)22-8-5-18-3-6-20-7-4-18/h3-8H2,1-2H3,(H,14,15)
|
| Chemical Name |
1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
|
| Synonyms |
JA2131
|
| 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 : ~12.5 mg/mL (~36.6 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.66 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 12.5 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 | 2.9287 mL | 14.6434 mL | 29.2869 mL | |
| 5 mM | 0.5857 mL | 2.9287 mL | 5.8574 mL | |
| 10 mM | 0.2929 mL | 1.4643 mL | 2.9287 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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