| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
Nampt-IN-3 simultaneously targets nicotinamide phosphoribosyltransferase (NAMPT) and histone deacetylase (HDAC). NAMPT is the rate-limiting enzyme in the NAD+ salvage pathway, playing a critical role in cellular energy metabolism and NAD+ homeostasis. HDACs are enzymes that remove acetyl groups from histone proteins, regulating gene expression. By inhibiting both NAMPT and HDAC with IC₅0 values of 31 nM and 55 nM, respectively, Nampt-IN-3 disrupts NAD+ metabolism and epigenetic regulation, leading to cancer cell death.
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| ln Vitro |
In vitro, Nampt-IN-3 effectively induces cell apoptosis and autophagy, ultimately leading to cell death. It is a potent dual inhibitor of NAMPT and HDAC with IC₅0 values of 31 nM and 55 nM, respectively. By targeting both NAD+ metabolism and epigenetic regulation, the compound exerts potent anti-cancer activity. Its dual inhibitory mechanism makes it a valuable tool for studying the interplay between NAD+ metabolism and epigenetic regulation in cancer.
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| ln Vivo |
In vivo studies of Nampt-IN-3 are limited, as it is primarily used as a research tool in cellular assays. However, given its potent inhibition of NAMPT and HDAC and its ability to induce apoptosis and autophagy in cancer cells, the compound may have potential for in vivo efficacy studies in animal models of cancer. Further studies are needed to evaluate its pharmacokinetic properties, bioavailability, and efficacy in vivo.
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| Enzyme Assay |
For in vitro enzyme/receptor binding assays, Nampt-IN-3 can be evaluated using enzymatic activity assays that measure NAMPT and HDAC activity. For NAMPT, the compound is incubated with recombinant NAMPT enzyme, nicotinamide, and ATP, and the production of NMN is quantified. For HDAC, the compound is incubated with recombinant HDAC enzyme and a fluorogenic acetylated peptide substrate. IC₅0 values are determined from dose-response curves. Selectivity profiling against other NAMPT and HDAC isoforms may be performed.
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| Cell Assay |
For in vitro cellular experiments, Nampt-IN-3 is tested in cancer cell lines to evaluate its effects on cell viability, apoptosis, and autophagy. Cells are cultured in appropriate media and treated with various concentrations of the compound. Cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis is evaluated using Annexin V staining or caspase activity assays. Autophagy is assessed by measuring LC3-II levels or using autophagy reporter assays. NAD+ and acetylated protein levels are measured to confirm target engagement.
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| Animal Protocol |
For in vivo animal experiments, Nampt-IN-3 can be administered to tumor-bearing mice via various routes, including oral gavage, intravenous injection, or intraperitoneal injection. Xenograft models using human cancer cell lines are commonly used to evaluate antitumor efficacy. Typical dosing regimens may range from 1 to 50 mg/kg. Tumor volume is measured regularly, and tumor growth inhibition is calculated. Pharmacodynamic markers such as NAD+ levels, acetylation, apoptosis, and autophagy are assessed in tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Nampt-IN-3 are not extensively detailed in the provided references. As a small molecule with a molecular weight of 503.55, it may have reasonable oral bioavailability and tissue distribution. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies. The compound's metabolism and excretion pathways remain to be fully characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for Nampt-IN-3 are limited, as it is primarily a research tool. As a dual inhibitor of NAMPT and HDAC, its toxicity would depend on the importance of NAD+ metabolism and epigenetic regulation for normal cellular function. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
Nampt-IN-3 is a research compound used to study NAMPT and HDAC biology and develop dual-targeting cancer therapies. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound effectively induces cell apoptosis and autophagy.
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| Molecular Formula |
C29H25N7O2
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|---|---|
| Molecular Weight |
503.55
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| Exact Mass |
503.206
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| CAS # |
2121591-52-2
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| PubChem CID |
137634086
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| Appearance |
White to off-white solid powder
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| LogP |
2.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
38
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| Complexity |
766
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(NC(C2=CC=C(CN3N=NC(C4=CC=C(C=C4)C(=O)NCC4=CN=CC=C4)=C3)C=C2)=O)=C(C=CC=C1)N
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| InChi Key |
LSGNVZAEAAZOEH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H25N7O2/c30-25-5-1-2-6-26(25)33-29(38)24-9-7-20(8-10-24)18-36-19-27(34-35-36)22-11-13-23(14-12-22)28(37)32-17-21-4-3-15-31-16-21/h1-16,19H,17-18,30H2,(H,32,37)(H,33,38)
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| Chemical Name |
N-(2-aminophenyl)-4-[[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]triazol-1-yl]methyl]benzamide
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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 : ~130 mg/mL (~258.17 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 | 1.9859 mL | 9.9295 mL | 19.8590 mL | |
| 5 mM | 0.3972 mL | 1.9859 mL | 3.9718 mL | |
| 10 mM | 0.1986 mL | 0.9930 mL | 1.9859 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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