| 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 |
| Targets |
SIRT2 1.3 μM (IC50) SIRT1 ＞300 μM (IC50) SIRT3 ＞300 μM (IC50)
SIRT2 (IC50 = 1.3 μM) SIRT1 (IC50 > 300 μM) SIRT3 (IC50 > 300 μM) [1] |
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| ln Vitro |
SIRT2-IN-9 (1-100 μM; 15 min) suppresses SRIT1 and SRIT3 with IC50s >300 μM and SRIT2 with an IC50 value of 1.3 μM in a dose-dependent manner[1]. The viability of MCF-7 cells is affected by SIRT2-IN-9 (0-50 μM; 72 h)[1]. SIRT2-IN-9 (0-50 μM; 6 h) influences the α-tubulin protein's acetylation[1].
In enzyme assays: SIRT2-IN-9 (compound 12) (CAS#: 522650-91-5) inhibited SIRT2 with an IC50 of 1.3 μM (Table 2). It showed weak or no inhibition against SIRT1 (IC50 > 300 μM) and SIRT3 (IC50 > 300 μM) (Figures 1, 2; Example 2). [1] In cell-based assays: SIRT2-IN-9 (compound 12) (CAS#: 522650-91-5) dose-dependently inhibited the viability of human breast cancer MCF-7 cells (Figure 3A; Example 3). It also dose-dependently increased the acetylation level of α-tubulin, an intracellular substrate of SIRT2, in MCF-7 cells as shown by Western blot (Figure 3B; Example 3). [1] |
| Enzyme Assay |
Enzyme assays were performed using human recombinant SIRT2 enzyme (BPS Bioscience, #50013), modified Tris buffer, 100% DMSO, NAD, acetylated peptide substrate, and trypsin. Test compounds dissolved in 100% DMSO were mixed with the enzyme and buffer, incubated at room temperature for 15 min. The reaction was initiated by adding NAD and acetylated peptide substrate, then incubated at room temperature for 240 min. Trypsin solution was added and incubated for another 90 min at room temperature. Fluorescence was measured at λex = 360 nm and λem = 460 nm using a microplate reader. Inhibition percentage was calculated as: Inh% = (Max - Signal)/(Max - Min) × 100. IC50 was calculated using a four-parameter logistic model: Y = Bottom + (Top - Bottom)/(1 + 10^((LogIC50 - X)×HillSlope)). [1]
Selectivity assays against SIRT1 and SIRT3 were performed using the same protocol with human recombinant SIRT1 (BPS Bioscience, #50012) and SIRT3 (Cayman, #10011194) enzymes. [1] |
| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: MCF-7 breast cancer cell line Tested Concentrations: 0-50 μM Incubation Duration: 72 hrs (hours) Experimental Results: Dose-dependently inhibited cell proliferation of MCF-7 breast cancer cells. Western Blot Analysis[1] Cell Types: MCF-7 breast cancer cell line Tested Concentrations: 6.25, 12.5, 25 and 50 μM Incubation Duration: 6 hrs (hours) Experimental Results: Dose-dependently increased acetylation of α -tubulin protein. Cell viability assay (MTT): MCF-7 cells were cultured in DMEM with 10% fetal bovine serum, 100 U/mL penicillin, 100 μg/mL streptomycin at 37°C, 5% CO2. Cells were seeded in 96-well plates at 1×10^5 cells/mL (200 μL/well) and cultured overnight. After removing supernatant, cells were treated with gradient concentrations of test compound for 72 h (0.1% DMSO as solvent control). Then 20 μL of 5 mg/mL MTT was added per well and incubated for 2-4 h. Supernatant was removed, 50 μL of 20% SDS was added, incubated overnight at 37°C. Absorbance was measured at 570 nm. Relative inhibition rate = (Control A570 - Experimental A570)/Control A570 × 100%. [1] Western blot: MCF-7 cells were cultured in dishes, treated with different concentrations of test compound together with 40 nM trichostatin A for 6 h. Cells were collected, washed with cold PBS, lysed. Protein concentration was determined by BCA method. Samples were denatured at 100°C for 10 min, separated by SDS-PAGE, transferred to PVDF membrane. Membranes were incubated with primary antibodies against α-tubulin and acetylated α-tubulin overnight at 4°C, then with HRP-conjugated secondary antibody for 1 h at 37°C. Protein expression was detected using HRP substrate. [1] |
| References | |
| Additional Infomation |
SIRT2 is a member of the sirtuin family (class III HDAC) that deacetylates both histone and non-histone substrates (e.g., α-tubulin). SIRT2 has been implicated in various cancers (glioma, bladder cancer, non-small cell lung cancer, Burkitt's lymphoma, colon cancer, breast cancer) and neurological disorders (Huntington's disease, Parkinson's disease). SIRT2-IN-9 (compound 12) (CAS#: 522650-91-5) represents a novel selective SIRT2 inhibitor with potential therapeutic applications. [1]
|
| Molecular Formula |
C21H22N6OS2
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|---|---|
| Molecular Weight |
438.569
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| Exact Mass |
438.129
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| CAS # |
522650-91-5
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| PubChem CID |
2938199
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
30
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| Complexity |
612
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCN1C2C=CC=CC=2C2=NN=C(N=C12)SCC(NC1=NC2CCCCC=2S1)=O
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| InChi Key |
CTCRADJXWVDTGQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H22N6OS2/c1-2-11-27-15-9-5-3-7-13(15)18-19(27)24-21(26-25-18)29-12-17(28)23-20-22-14-8-4-6-10-16(14)30-20/h3,5,7,9H,2,4,6,8,10-12H2,1H3,(H,22,23,28)
|
| Chemical Name |
2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : 4.46 mg/mL (10.17 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2801 mL | 11.4007 mL | 22.8014 mL | |
| 5 mM | 0.4560 mL | 2.2801 mL | 4.5603 mL | |
| 10 mM | 0.2280 mL | 1.1401 mL | 2.2801 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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