| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
HDAC-IN-40 targets histone deacetylases (HDACs), specifically HDAC2 and HDAC6. It has Ki values of 60 nM for HDAC2 and 30 nM for HDAC6. By inhibiting HDACs, the compound promotes histone acetylation, leading to the activation of genes that may suppress tumor growth and enhance immune responses. It also shows antitumor effects.
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| ln Vitro |
IC50 values for HDAC-IN-40 (compound 13d) against the cell lines A2780 and Cal27 are 0.89 µM and 0.72 µM, respectively [1]. This drug has antiproliferative activity. Acetyl α-tubulin is induced to accumulate in Cal27 and Cal27CisR by HDAC-IN-40 [1]. By activating caspase-3/7, HDAC-IN-40 increases the cytotoxicity generated by cisplatin [1].
In vitro, HDAC-IN-40 is a potent HDAC inhibitor with Ki values of 60 nM (HDAC2) and 30 nM (HDAC6). It shows antiproliferative activity against A2780 and Cal27 cell lines with IC50 values of 0.89 µM and 0.72 µM, respectively. It induces accumulation of acetyl α-tubulin in Cal27 cells and enhances cisplatin-induced cytotoxicity via caspase-3/7 activation. |
| ln Vivo |
In vivo, HDAC-IN-40 has potential anticancer/antitumor effects. By inhibiting HDACs, it can promote the acetylation of histones, leading to the activation of tumor suppressor genes. However, specific in vivo efficacy data and detailed animal study results are not extensively reported in the available literature.
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| Enzyme Assay |
In vitro enzyme assays for HDAC-IN-40 involve HDAC activity assays using purified recombinant HDAC2 and HDAC6 enzymes or nuclear extracts. The compound is incubated with the enzyme and a fluorogenic substrate (e.g., Boc-Lys(Ac)-AMC). Deacetylation of the substrate allows for the release of a fluorophore, which is measured. Ki values are determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays for HDAC-IN-40 are performed using cancer cell lines such as A2780 and Cal27. Cells are treated with various concentrations of the compound. Cell viability and proliferation are assessed using MTT or CellTiter-Glo assays. Histone acetylation and acetyl α-tubulin levels are measured by Western blotting. Apoptosis is assessed by measuring caspase-3/7 activity.
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| Animal Protocol |
In vivo animal studies with HDAC-IN-40 would typically be conducted in mouse xenograft models of cancer to evaluate its antitumor efficacy. The compound would be administered orally or intraperitoneally, and tumor growth inhibition would be assessed. However, specific protocols are not detailed in the available literature.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of HDAC-IN-40 are not extensively reported. It has a molecular weight of 326.34. It is soluble in DMSO at 250 mg/mL. Specific parameters such as oral bioavailability, half-life, and tissue distribution are not detailed.
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| Toxicity/Toxicokinetics |
The toxicity profile of HDAC-IN-40 is not extensively reported in the available literature. As a research compound, it is for research use only and not for human therapeutic use. Standard toxicity studies would be required to assess its safety. No specific toxicity data are detailed.
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| References | |
| Additional Infomation |
HDAC-IN-40 is a potent alkoxyamide-based HDAC inhibitor with Ki values of 60 nM (HDAC2) and 30 nM (HDAC6). It shows antiproliferative activity against A2780 and Cal27 cells and enhances cisplatin-induced cytotoxicity. It has potential antitumor effects and is available for research purposes only.
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| Molecular Formula |
C15H22N2O6
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|---|---|
| Molecular Weight |
326.34
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| Exact Mass |
326.147
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| CAS # |
2463198-51-6
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| PubChem CID |
156019761
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| Appearance |
Off-white to pink solid powder
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| LogP |
1
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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 |
10
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| Heavy Atom Count |
23
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| Complexity |
354
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(NOCCCCCC(NO)=O)(=O)C1=CC(OC)=CC(OC)=C1
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| InChi Key |
WARMWIVORGODLX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H22N2O6/c1-21-12-8-11(9-13(10-12)22-2)15(19)17-23-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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| Chemical Name |
N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethoxybenzamide
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~250 mg/mL (~766.07 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 | 3.0643 mL | 15.3214 mL | 30.6429 mL | |
| 5 mM | 0.6129 mL | 3.0643 mL | 6.1286 mL | |
| 10 mM | 0.3064 mL | 1.5321 mL | 3.0643 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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