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Sirtuin modulator 3

Cat No.:V53278 Purity: ≥98%
Sirtuin modulator 3 (compound 129) is an N-phenylbenzamide analogue that works as a sirtuin modulator.
Sirtuin modulator 3
Sirtuin modulator 3 Chemical Structure CAS No.: 708995-11-3
Product category: Sirtuin
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
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10mg
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Product Description
Sirtuin modulator 3 (compound 129) is an N-phenylbenzamide analogue that works as a sirtuin modulator.
Sirtuin modulator 3 (compound 129) is an N-phenyl benzamide derivative that functions as a sirtuin modulator. It has been shown to influence sirtuin activity, which is implicated in various biological processes, including aging and cellular regulation. The compound has the molecular formula C24H23N3O4 and a molecular weight of 417.46. It is a research tool for studying sirtuin biology and related pathways.
Biological Activity I Assay Protocols (From Reference)
Targets
Sirtuin modulator 3 targets sirtuins, a family of NAD+-dependent deacetylases that play critical roles in cellular regulation, metabolism, and aging. As an N-phenyl benzamide derivative, the compound modulates sirtuin activity, affecting downstream signaling pathways involved in DNA repair, inflammation, and energy homeostasis.
ln Vitro
Sirtuin modulator 3 demonstrates in vitro activity as a sirtuin modulator. The compound has been shown to influence sirtuin activity in biochemical assays. Its activity is typically assessed in enzymatic assays measuring sirtuin deacetylase activity in the presence of the compound.
ln Vivo
In vivo activity of sirtuin modulator 3 has not been extensively documented. Its modulation of sirtuin activity, which is implicated in aging and cellular regulation, suggests potential for in vivo studies in models of aging, metabolic disorders, and inflammation. Further in vivo studies are needed to evaluate its efficacy and safety.
Enzyme Assay
In vitro enzyme assays for sirtuin modulator 3 involve measuring its modulation of sirtuin deacetylase activity. The assay typically uses purified recombinant sirtuin enzymes and fluorogenic peptide substrates containing acetylated lysine residues. Deacetylase activity is measured by detecting the release of fluorescent products in the presence of the compound.
Cell Assay
In vitro cellular assays for sirtuin modulator 3 involve treating cells with varying concentrations of the compound and measuring changes in protein acetylation levels using Western blotting or ELISA. Cellular effects such as proliferation, apoptosis, or metabolic changes can be assessed using standard cell-based assays.
Animal Protocol
In vivo animal experiments for sirtuin modulator 3 are not extensively documented. If used in animal models, typical protocols would involve administering the compound to models of aging, metabolic disorders, or inflammation and evaluating efficacy by measuring biomarkers of sirtuin activity and disease progression.
ADME/Pharmacokinetics
Pharmacokinetic data for sirtuin modulator 3 are limited. The compound has a molecular weight of 417.46 and a molecular formula of C24H23N3O4. It is soluble in DMSO at 250 mg/mL (598.86 mM) with ultrasonic. Powder should be stored at -20°C for up to 3 years; solutions at -20°C for up to 6 months. Its ADME properties have not been characterized.
Toxicity/Toxicokinetics
Toxicological data for sirtuin modulator 3 are limited. As a research compound, comprehensive toxicological studies have not been reported. The compound is intended for research use only and is not for human therapeutic application. Standard laboratory safety precautions should be followed when handling this compound.
References

[1]. Preparation of N-phenyl benzamide derivatives as sirtuin modulators: World Intellectual Property Organization, WO2006094236[P]. 2006-09-08.

Additional Infomation
Sirtuin modulator 3 (CAS#: 708995-11-3) has the molecular formula C24H23N3O4 and a molecular weight of 417.46. It is an N-phenyl benzamide derivative that functions as a sirtuin modulator. Purity is >98%. The compound is used in research on sirtuin biology, aging, and cellular regulation.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C24H23N3O4
Molecular Weight
417.46
Exact Mass
417.168
CAS #
708995-11-3
PubChem CID
983446
Appearance
Off-white to light brown solid powder
Density
1.2±0.1 g/cm3
Index of Refraction
1.611
LogP
4.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Heavy Atom Count
31
Complexity
591
Defined Atom Stereocenter Count
0
SMILES
CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChi Key
ZCNAQCKPWWPHDY-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H23N3O4/c1-15-8-9-27-14-19(26-22(27)10-15)16-6-5-7-18(11-16)25-24(28)17-12-20(29-2)23(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28)
Chemical Name
3,4,5-trimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
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)
Solubility Data
Solubility (In Vitro)
DMSO : 250 mg/mL (598.86 mM)
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 : PEG300Tween 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).
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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 : PEG300Tween 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).
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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 2.3954 mL 11.9772 mL 23.9544 mL
5 mM 0.4791 mL 2.3954 mL 4.7909 mL
10 mM 0.2395 mL 1.1977 mL 2.3954 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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