| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
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DUBs-IN-2 is a novel and potent inhibitor of Deubiquitinating Enzyme (DUB) USP7 and USP8 with an IC50 of 0.28 μM for USP8.
| ln Vitro |
DUBs-IN-2 (compound 22 e) has an IC50 of 0.28 μM, making it a strong inhibitor of USP8, but USP7 remains unaffected at >100 μM. With an IC50 value of 0.5-1.5μM, DUBs-IN-2 decreases the viability of the PC-3 prostate cancer cell line and the HCT116 colon cell line[1].
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|---|---|
| References |
| Molecular Formula |
C15H9N5O
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|---|---|
| Molecular Weight |
275.2649
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| Exact Mass |
275.081
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| CAS # |
924296-19-5
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| Related CAS # |
DUB-IN-3;924296-17-3
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| PubChem CID |
57831016
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.36±0.1 g/cm3 (20 °C, 760 mmHg)
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| Boiling Point |
555.7±60.0 °C (760 mmHg)
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| LogP |
1.989
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
527
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCO/N=C\1/C2=CC=CC=C2C3=NC(=C(N=C31)C#N)C#N
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| InChi Key |
VKVAJBRQGBRHIK-ZHZULCJRSA-N
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| InChi Code |
InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3/b20-14-
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| Chemical Name |
(9Z)-9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
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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 : ~16.67 mg/mL (~60.56 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1 mg/mL (3.63 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 + to the above solution and mix evenly; then add 450 μL of 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: 1.5 mg/mL (5.45 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 | 3.6329 mL | 18.1646 mL | 36.3293 mL | |
| 5 mM | 0.7266 mL | 3.6329 mL | 7.2659 mL | |
| 10 mM | 0.3633 mL | 1.8165 mL | 3.6329 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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