| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
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Purity: ≥98%
| Targets |
SIRT6 (EC50 = 38 μM)
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|---|---|
| ln Vitro |
In human Manhattan, UBCS039 (75 μM, 48 or 72 hours) causes the H3 site of the SIRT6 activator protein to dechondrify [2]. In human Manhattan, UBCS039 induces autophagosome accumulation [2]. By triggering AMP-activated Protein Kinase (AMPK) signaling, UBCS039 promotes autophagy [2].
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| Enzyme Assay |
Sirtuins are protein deacylases regulating metabolism and stress responses, and are implicated in aging-related diseases. Small molecule activators for the human sirtuins Sirt1-7 are sought as chemical tools and potential therapeutics, such as for cancer. Activators are available for Sirt1 and exploit its unique N-terminus, whereas drug-like activators for Sirt2-7 are lacking. We synthesized and screened pyrrolo[1,2-a]quinoxaline derivatives, yielding the first synthetic Sirt6 activators. Biochemical assays show direct, substrate-independent compound binding to the Sirt6 catalytic core and potent activation of Sirt6-dependent deacetylation of peptide substrates and complete nucleosomes. Crystal structures of Sirt6/activator complexes reveal that the compounds bind to a Sirt6-specific acyl channel pocket and identify key interactions. Our results establish potent Sirt6 activation with small molecules and provide a structural basis for further development of Sirt6 activators as tools and therapeutics [1].
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| Cell Assay |
Western Blot Analysis[2]
Cell Types: human H1299 cells. Tested Concentrations: 75 μM. Incubation Duration: 48 and 72 hrs (hours). Experimental Results: Deacetylation of SIRT6-targeted histone H3 sites was induced in human H1299 cells. Western Blot Analysis[2] Cell Types: human H1299 cells. Tested Concentrations: 75 μM. Incubation Duration: 48 and 72 hrs (hours). Experimental Results: Deacetylation of SIRT6-targeted histone H3 sites was induced in human H1299 cells. Cell proliferation assay [2] Cell Types: human H1299 cells. Tested Concentrations: 100μM. Incubation Duration: 48 and 72 hrs (hours). Experimental Results: Cell proliferation was strongly diminished in a dose-dependent manner starting from day 3 of growth of H1299 and HeLa cell lines (48 hrs (hours) after treatment) compared to control or DMSO-treated cells. |
| References |
| Molecular Formula |
C16H13N3
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|---|---|
| Molecular Weight |
247.294523000717
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| Exact Mass |
247.11
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| Elemental Analysis |
C, 77.71; H, 5.30; N, 16.99
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| CAS # |
358721-70-7
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| PubChem CID |
2803797
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| Appearance |
Light yellow to yellow solid
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| LogP |
2.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
19
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| Complexity |
319
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
BSOBGTYXYGHUTD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
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| Chemical Name |
4-Pyridin-3-yl-4,5-dihydro-pyrrolo[1,2-a]quinoxaline
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| Synonyms |
MC 3154; UBCS-039; UBCS039; MC3154; MC-3154
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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 (~404.38 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.41 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (8.41 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (8.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0438 mL | 20.2192 mL | 40.4384 mL | |
| 5 mM | 0.8088 mL | 4.0438 mL | 8.0877 mL | |
| 10 mM | 0.4044 mL | 2.0219 mL | 4.0438 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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