| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
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| ln Vitro |
CB839, an allosteric framework of kidney-type glutaminase (KGA) containing 1,3,4-oxadiazole, contains the amino acid glutaminase-IN-1 (CPD20), which has an IC50 of 1 nM. Tumor anti-activity and cell feeding are enhanced by glutaminase-IN-1. In comparison to the comparable BPTES, the IC50 values of glutaminase-IN-1 in A549, H2, Caki-1, and HCT116 cell lines were 17 nM, 6.78 μM, 19 nM, and 9 nM, respectively. CB839 has superior KGA inhibitory action [1].
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| ln Vivo |
Glutaminase-IN-1 (10 mg/kg, sc) reduced HCT116 tumor size and weight, and statistical analysis showed that CPD20 had a statistically significant 40% reduction in tumor weight. Glutaminase-IN-1 can greatly lengthen the survival of H22 mice [1].
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| References |
| Molecular Formula |
C26H24F3N7O3SE
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|---|---|
| Molecular Weight |
618.469074249268
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| Exact Mass |
619.105
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| CAS # |
2247127-79-1
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| PubChem CID |
137319720
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
40
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| Complexity |
812
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Se]1C(NC(CC2C=CC=CN=2)=O)=NN=C1CCCCC1=CC=C(N=N1)NC(CC1C=CC=C(C=1)OC(F)(F)F)=O
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| InChi Key |
KWZUDGWKTNIKJY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H24F3N7O3Se/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
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| Chemical Name |
N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-selenadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
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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 : ~125 mg/mL (~202.11 mM)
H2O : ~2 mg/mL (~3.23 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.36 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 1.44 mg/mL (2.33 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 14.4 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6169 mL | 8.0845 mL | 16.1689 mL | |
| 5 mM | 0.3234 mL | 1.6169 mL | 3.2338 mL | |
| 10 mM | 0.1617 mL | 0.8084 mL | 1.6169 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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