| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
HDAC-IN-7 targets Class I HDAC enzymes (HDAC1, HDAC2, HDAC3) and Class IIb HDAC10. Its inhibitory activity against HDAC1, HDAC2, HDAC3, and HDAC10 is characterized by IC50 values of 95 nM, 160 nM, 67 nM, and 78 nM, respectively. It also inhibits HDAC8 and HDAC11 with IC50 values of 733 nM and 432 nM, respectively, while showing no significant inhibition of HDAC4, HDAC5, HDAC6, HDAC7, or HDAC9 (IC50 > 30 μM).
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| ln Vitro |
In vitro, HDAC-IN-7 effectively inhibits the enzymatic activity of HDAC1, HDAC2, HDAC3, and HDAC10 with sub-micromolar IC50 values. By inhibiting histone deacetylation, it promotes the accumulation of acetylated histone H3, leading to chromatin remodeling and transcriptional activation of genes involved in cell cycle arrest and apoptosis. In human colon cancer cell lines, HDAC-IN-7 treatment results in reduced cell viability and increased apoptotic cell death in a dose-dependent manner.
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| ln Vivo |
In vivo activity data for HDAC-IN-7 as a standalone compound are limited, as it is primarily studied as an impurity or analog of Chidamide. Chidamide, the parent compound, is an orally bioavailable HDAC inhibitor with demonstrated antitumor efficacy in preclinical models. By extension, HDAC-IN-7 is expected to exhibit similar in vivo pharmacological properties, although direct experimental validation for this specific compound remains to be fully established.
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| Enzyme Assay |
In vitro enzyme assays for HDAC-IN-7 typically utilize fluorogenic or colorimetric HDAC activity assay kits. Recombinant human HDAC enzymes (HDAC1, HDAC2, HDAC3, HDAC8, HDAC10, HDAC11) are incubated with a fluorogenic substrate (e.g., Boc-Lys(Ac)-AMC) in the presence of varying concentrations of the compound. After incubation at 37°C for 30-60 minutes, the reaction is terminated by the addition of developer solution containing trypsin, which releases the fluorophore. Fluorescence intensity is measured at excitation/emission wavelengths of ~355/460 nm, and IC50 values are calculated by nonlinear regression analysis.
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| Cell Assay |
Cellular assays for HDAC-IN-7 are conducted using human colon cancer cell lines such as HCT116 or HT-29. Cells are seeded in 96-well plates and treated with serial dilutions of the compound for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or resazurin-based assays. Apoptosis is evaluated by flow cytometry using Annexin V-FITC/PI double staining, and histone H3 acetylation levels are measured by Western blotting with anti-acetyl-H3 antibodies. I
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| ADME/Pharmacokinetics |
n vivo pharmacokinetic studies have not been extensively reported for HDAC-IN-7 specifically. However, Chidamide, the structurally related parent compound, exhibits good oral bioavailability and favorable PK properties. Based on the physicochemical properties of HDAC-IN-7 (molecular weight 390.41, moderate lipophilicity), it is anticipated to have reasonable membrane permeability and metabolic stability. Standard PK parameters such as half-life (t₁/₂), maximum concentration (Cmax), area under the curve (AUC), and bioavailability would require dedicated in vivo studies.
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| Toxicity/Toxicokinetics |
Toxicity data specifically for HDAC-IN-7 are limited. As an HDAC inhibitor analog, its safety profile is expected to be similar to that of other HDAC inhibitors, which may include gastrointestinal disturbances, fatigue, and hematological effects such as thrombocytopenia at higher doses. The compound is designated for research use only and is not intended for human therapeutic applications. Standard toxicity screening would involve acute and repeated-dose studies in rodent models with histopathological evaluation of major organs.
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| References | |
| Additional Infomation |
HDAC-IN-7 is a benzamide-type HDAC inhibitor and a structural analog of Chidamide (Tucidinostat), an orally active anticancer drug approved in China for the treatment of peripheral T-cell lymphoma. Its mechanism of action involves the inhibition of HDAC enzymes, leading to increased histone acetylation, chromatin relaxation, and reactivation of tumor suppressor genes. The compound is not currently in clinical trials and is not FDA-approved; it is exclusively used as a research tool for epigenetic and oncology studies.
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| Molecular Formula |
C22H19FN4O2
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|---|---|
| Molecular Weight |
390.4103
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| Exact Mass |
390.149
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| CAS # |
743420-02-2
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| Related CAS # |
1883690-47-8; 1616493-44-7; 743420-02-2 ;Tucidinostat HCl;
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| PubChem CID |
9800555
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
600.2±55.0 °C at 760 mmHg
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| Flash Point |
316.8±31.5 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.691
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
29
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| Complexity |
577
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CN=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N
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| InChi Key |
WXHHICFWKXDFOW-BJMVGYQFSA-N
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| InChi Code |
InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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| Chemical Name |
N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]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) |
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
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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 | 2.5614 mL | 12.8070 mL | 25.6141 mL | |
| 5 mM | 0.5123 mL | 2.5614 mL | 5.1228 mL | |
| 10 mM | 0.2561 mL | 1.2807 mL | 2.5614 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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