| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
|
| Targets |
EC50: 6.5 nM (β-catenin:β-TrCP Interaction)[1] Kd: 0.4 nM (β-catenin:β-TrCP Interaction)[1]
|
|---|---|
| ln Vitro |
The binding of pSer33/S37A β-catenin peptide to β-TrCP is enhanced by about 1500 times by NRX-252114 (20 μM) [1]. Long ubiquitin chains are formed when pSer33/S37A β-catenin peptide is ubiquitinated more heavily by NRX-252114 (0-25 μM) [1]. The ubiquitination of unphosphorylated Ser33/S37A β-catenin peptides and S33E/S37A β-catenin is enhanced by NRX-252114 (0-25 μM) [1]. In transfected HEK293T cells, NRX-252114 (20 μM, 6 hours) generates a strong S33E/S37A β-catenin:β-TrCP association [1].
|
| References |
| Molecular Formula |
C22H12CL2F3N3O2S
|
|---|---|
| Molecular Weight |
510.31579208374
|
| Exact Mass |
508.997
|
| CAS # |
2763260-39-3
|
| PubChem CID |
162640509
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.6
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
33
|
| Complexity |
935
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1C2=C(C(C#N)=CC=C2)CN1C(C1=C(SC2=C(Cl)C=CC=C2Cl)C=C(C(F)(F)F)NC1=O)=O
|
| InChi Key |
BMQXGPBUQGPLOV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H12Cl2F3N3O2S/c23-14-5-2-6-15(24)19(14)33-16-7-17(22(25,26)27)29-20(31)18(16)21(32)30-9-12-4-1-3-11(8-28)13(12)10-30/h1-7H,9-10H2,(H,29,31)
|
| Chemical Name |
2-[4-(2,6-dichlorophenyl)sulfanyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-1,3-dihydroisoindole-4-carbonitrile
|
| 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: 100 mg/mL (195.96 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.90 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 25.0 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: 2.5 mg/mL (4.90 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 | 1.9596 mL | 9.7978 mL | 19.5955 mL | |
| 5 mM | 0.3919 mL | 1.9596 mL | 3.9191 mL | |
| 10 mM | 0.1960 mL | 0.9798 mL | 1.9596 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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