| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Target: SIRT1 (Silent Information Regulator 1, IC50 = 1.6 uM). SIRT1 is a NAD+-dependent deacetylase involved in cellular processes such as aging, metabolism, stress resistance, and transcription regulation. SIRT1-IN-2 also shows some activity against SIRT2 (IC50 = 39 uM), but is selective for SIRT1.
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| ln Vitro |
SIRT1-IN-2 (Compound 3h) (0-100 μM, 48 hours) is highly cytotoxic to 293T cells and suppresses the growth of human cancer cell lines, such as K562, HCT-116, HepG2, A549, and MCF-7. a significant decrease in HUVEC[1].
In vitro, SIRT1-IN-2 (compound 3h) (0-100 uM, 48 h) inhibits proliferation of human cancer cell lines including K562 (IC50=51 uM), HCT-116 (37 uM), HepG2 (40 uM), A549 (48 uM), and MCF-7 (48 uM). It is highly cytotoxic to 293T cells (IC50 >100 uM) and HUVEC (IC50=45 uM). |
| ln Vivo |
No in vivo efficacy data have been published for SIRT1-IN-2. Based on its inhibition of SIRT1 and antiproliferative activity in vitro, it is expected to suppress tumor growth in xenograft models, but animal studies have not been reported. Its potential applications include cancer, neurodegenerative diseases, and metabolic disorders.
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| Enzyme Assay |
For cell-free SIRT1 deacetylase assay: recombinant SIRT1 enzyme is incubated with varying concentrations of SIRT1-IN-2 (0-100 uM), NAD+, and a fluorogenic acetylated peptide substrate (e.g., Ac-Lys(Ac)-AMC) in assay buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA). After 30-60 min at 37degC, trypsin/developer solution is added, and fluorescence is measured at 360/460 nm. IC50 is calculated from dose-response curves.
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| Cell Assay |
Cytotoxicity assay [1]
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 such as K562, HCT-116, HepG2, A549 and MCF-7, the IC50 values were respectively 51, 37, 40, 48 and 48 μM. The cytotoxicity to 293T cells and HUVEC was Dramatically diminished, with IC50 values >100 and 45 μM respectively. For cell assays: human cancer cell lines (K562, HCT-116, HepG2, A549, MCF-7) and normal cell lines (293T, HUVEC) are seeded in 96-well plates and treated with SIRT1-IN-2 (0, 0.01, 0.1, 1, 10, 100 uM, 48 h). Cell viability is assessed by MTT assay. IC50 values are calculated from dose-response curves. SIRT1 inhibition is confirmed by Western blot for acetylated p53 or other SIRT1 substrates. |
| Animal Protocol |
No in vivo animal studies have been specifically reported for SIRT1-IN-2. Potential future studies would involve xenograft mouse models bearing human cancer cell lines (e.g., HCT-116 or MCF-7), where the compound would be administered orally or intraperitoneally at doses of 10-50 mg/kg daily for 2-4 weeks to assess tumor growth inhibition, survival, and SIRT1 target engagement in tumor tissues.
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| ADME/Pharmacokinetics |
No PK data are available for SIRT1-IN-2. For small molecule SIRT1 inhibitors (MW 250.72, ClogP ~2.8), expected PK in rodents: moderate oral bioavailability, Tmax 1-2 h, plasma half-life 4-6 h. The compound is soluble in DMSO (100 mg/mL), and in vivo formulation can be prepared using DMSO:PEG300:Tween80:Saline (10:40:5:45).
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for SIRT1-IN-2 in vivo. In vitro, it shows lower cytotoxicity against normal cells (293T, IC50 >100 uM; HUVEC, IC50=45 uM) compared to cancer cells, suggesting a potential therapeutic window. No acute toxicity or LD50 studies have been published. The compound is for research use only.
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| References | |
| Additional Infomation |
SIRT1-IN-2 is a research compound not yet approved for clinical use. It serves as a valuable chemical probe for studying the role of SIRT1 in cancer biology, aging, metabolism, and neurodegenerative diseases. It has potential as a lead compound for developing SIRT1-targeted anticancer therapies, although no clinical trials have been registered. The compound is available only for preclinical research.
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| Molecular Formula |
C13H15CLN2O
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|---|---|
| Molecular Weight |
250.72
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| Exact Mass |
250.087
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| CAS # |
2470969-89-0
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| PubChem CID |
162663759
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| Appearance |
White to light yellow 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(Cl)C=C2)C(C(C)C)=C1CC(N)=O
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| InChi Key |
IFPRJIBVYBLMFW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H15ClN2O/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-chloro-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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~398.85 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 | 3.9885 mL | 19.9426 mL | 39.8851 mL | |
| 5 mM | 0.7977 mL | 3.9885 mL | 7.9770 mL | |
| 10 mM | 0.3989 mL | 1.9943 mL | 3.9885 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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