| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
SIRT1-IN-3 targets SIRT1 (silent information regulator 1), a class III histone deacetylase that regulates gene expression, cellular metabolism, and stress responses through deacetylation of histone and non-histone proteins. SIRT1 is involved in various biological processes, including aging, inflammation, and cancer. The compound selectively inhibits SIRT1 with an IC50 of 4.2 μM and shows reduced activity against SIRT2 (IC50 = 38 μM).
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| ln Vitro |
SIRT1-IN-3 (compound 3j) (0-100 μM, 48 h) exhibited low cytotoxicity and HUVEC and inhibited the growth of human cancer cell lines, such as K562, HCT-116, H460, HepG2, A549, and MCF-7[1].
In vitro, SIRT1-IN-3 (0-100 μM, 48 h) inhibits the proliferation of human cancer cell lines including K562, HCT-116, H460, HepG2, A549, and MCF-7, with IC50 values of 47, 41, 66, 93, 52, and 64 μM, respectively. The compound shows low cytotoxicity on normal cell lines 293T and HUVEC, with IC50 values of 49 and 45 μM, respectively. It exhibits low cytotoxicity in HUVEC and inhibits the growth of various human cancer cell lines. |
| ln Vivo |
In vivo data for SIRT1-IN-3 are limited in the available literature. The compound is primarily used as a research tool to study the role of SIRT1 in various biological processes. Further in vivo studies are needed to evaluate its therapeutic potential and pharmacokinetic properties.
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| Enzyme Assay |
SIRT1-IN-3's enzyme inhibition activity has been characterized using purified SIRT1 enzyme in deacetylase assays. The compound inhibits SIRT1 activity with an IC50 of 4.2 μM. Binding assays typically involve measuring the inhibition of SIRT1-mediated deacetylation of fluorogenic or radiolabeled substrates using standard enzyme kinetics. Selectivity against SIRT2 (IC50 = 38 μM) is also assessed.
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| Cell Assay |
Cytotoxicity assay
Cell Types: human cancer cell lines (K562, HCT-116, H460, HepG2, A549, HT-29, MCF-7) and normal cell lines (293T, HUVEC) [1] Tested Concentrations: 0, 0.01, 0.1 , 1, 10, 100 μM Incubation Duration: 48 h Experimental Results: Inhibited the proliferation of human cancer cell lines K562, HCT-116, H460, HepG2, A549, and MCF-7, with IC50 values of 47, 41, and 66, respectively 93 , 52 and 64 μM. demonstrated low cytotoxicity against 293T and HUVEC, with IC50 values of 49 and 45 μM, respectively. In vitro cell experiments with SIRT1-IN-3 use human cancer cell lines (K562, HCT-116, H460, HepG2, A549, HT-29, MCF-7) and normal cell lines (293T, HUVEC). Cells are treated with the compound at concentrations ranging from 0 to 100 μM for 48 hours. Cell proliferation is assessed using standard viability assays, and SIRT1 inhibition is confirmed by measuring acetylation levels of SIRT1 substrates. |
| Animal Protocol |
In vivo animal studies with SIRT1-IN-3 have not been extensively reported in the available literature. The compound is primarily used for in vitro research. Further studies are needed to evaluate its in vivo efficacy, pharmacokinetics, and safety in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic data specific to SIRT1-IN-3 are limited in the available literature. As a small molecule with a molecular weight of 295.17, the compound is expected to have reasonable bioavailability. Further pharmacokinetic studies are needed to fully characterize its absorption, distribution, metabolism, and excretion properties.
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| Toxicity/Toxicokinetics |
SIRT1-IN-3 is considered safe for research use at typical concentrations. The compound exhibits low cytotoxicity on normal cell lines. As a research compound, it is intended for laboratory use only and not for human consumption. It should be handled under standard laboratory safety practices.
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| References | |
| Additional Infomation |
SIRT1-IN-3 (compound 3j) is a potent and selective SIRT1 inhibitor with an IC50 of 4.2 μM. It has a molecular formula of C13H15BrN2O and a molecular weight of 295.17. The compound is stored as powder at -20°C for 3 years or in solvent at -80°C for 1 year. It is a valuable tool for studies investigating the role of SIRT1 in various biological processes.
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| Molecular Formula |
C13H15BRN2O
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| Molecular Weight |
295.175002336502
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| Exact Mass |
294.036
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| CAS # |
2470969-91-4
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| PubChem CID |
162646867
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| Appearance |
White to off-white solid powder
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
295
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1C2=C(C=C(Br)C=C2)C(C(C)C)=C1CC(N)=O
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| InChi Key |
VBWIUUXBNGYYGO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H15BrN2O/c1-7(2)13-9-5-8(14)3-4-10(9)16-11(13)6-12(15)17/h3-5,7,16H,6H2,1-2H3,(H2,15,17)
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| Chemical Name |
2-(5-bromo-3-propan-2-yl-1H-indol-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 |
| 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 : ~100 mg/mL (~338.78 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.47 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3878 mL | 16.9388 mL | 33.8776 mL | |
| 5 mM | 0.6776 mL | 3.3878 mL | 6.7755 mL | |
| 10 mM | 0.3388 mL | 1.6939 mL | 3.3878 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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