Physicochemical Properties
| Molecular Formula | C21H30BR3CLN6S |
| Molecular Weight | 673.73 |
| CAS # | 3023471-40-8 |
| Appearance | Light yellow to yellow solid powder |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| Targets | SIRT1 80.52 μM (IC50) SIRT2 92.21 μM (IC50) SIRT6 7.46 μM (IC50) HDAC3 111.9 μM (IC50) HDAC6 96.77 μM (IC50) HDAC8 102 μM (IC50) |
| ln Vitro | SiRT6-IN-3 (25 μM, 48 h) causes apoptosis and cell cycle arrest in PDAC [1]. By blocking cell signaling pathways, SIRT6-IN-3 (25 μM, 72 hours) prevents pancreatic cancer cells from proliferating [1]. |
| ln Vivo | In tumor animal models, SIRT6-IN-3 (HY-156027; 20 mg/kg, intraperitoneal injection; once every two days for four weeks) exhibits anti-tumor properties [1]. Combining SIRT6-IN-3 (HY-156027; 20 mg/kg, intraperitoneal injection; once every two days for four weeks) with gemcitabine (ratio 2:1) amplifies the antitumor impact of the former [1]. |
| Cell Assay |
Apoptosis Analysis[1] Cell Types: PDAC cells Tested Concentrations: 0, 6.25, 12.5, 25 μM Incubation Duration: 48 h Experimental Results: Increased the percentages of the G0-G1 phase and diminished cyclin D1 expression in a dose-dependent manner. Western Blot Analysis[1] Cell Types: PDAC cells Tested Concentrations: 0, 6.25, 12.5, 25 μM Incubation Duration: Overnight Experimental Results: Dramatically down-regulated p-mTOR, p-P70S6K, p-AKT, and p-ERK. Inhibited the activity of both mTORC1 and mTORC2. Dramatically up-regulated the expression of cleaved-PARP, cleaved-Caspase3, and cleaved-Caspase9. |
| Animal Protocol |
Animal/Disease Models: Tumor mouse model[1] Doses: 20 mg/kg (in combination with 10 mg/kg gemcitabine) Route of Administration: intraperitoneal (ip)injection; Once every 2 days for 4 weeks Experimental Results: Inhibited the tumor mass 71.3% in mice with combinations of gemcitabine. Greatly increased the expression of apoptosis maker. |
| References |
[1]. Discovery of a pyrrole-pyridinimidazole derivative as novel SIRT6 inhibitor for sensitizing pancreatic cancer to gemcitabine. Cell Death Dis. 2023 Aug 4;14(8):499. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4843 mL | 7.4214 mL | 14.8427 mL | |
| 5 mM | 0.2969 mL | 1.4843 mL | 2.9685 mL | |
| 10 mM | 0.1484 mL | 0.7421 mL | 1.4843 mL |