| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 100mg |
|
||
| 250mg | |||
| Other Sizes |
| Targets |
HDAC3-IN-T247 targets histone deacetylase 3 (HDAC3), which is a member of the class I HDAC family. By binding to the catalytic site of HDAC3, the compound inhibits its deacetylase activity, leading to increased acetylation of histones and other proteins. This results in changes in gene expression, including the activation of tumor suppressor genes and the repression of oncogenes. The compound shows selectivity for HDAC3 over other HDAC isoforms, making it a valuable tool for studying HDAC3-specific functions.
|
|---|---|
| ln Vitro |
In vitro, HDAC3-IN-T247 demonstrates potent inhibition of HDAC3 activity, with an IC₅₀ in the low nanomolar range. The compound increases the acetylation of histones in cultured cells, as measured by Western blot using antibodies against acetylated histones. HDAC3-IN-T247 inhibits the proliferation of various cancer cell lines and induces cell cycle arrest and apoptosis in cancer cells. The compound also modulates the expression of genes involved in cell cycle regulation, apoptosis, and inflammation.
|
| ln Vivo |
In vivo, HDAC3-IN-T247 has demonstrated antitumor activity in mouse xenograft models of cancer. Administration of the compound via oral or intraperitoneal routes leads to significant inhibition of tumor growth. The compound increases histone acetylation in tumor tissues and modulates the expression of genes involved in cell cycle regulation and apoptosis. HDAC3-IN-T247 is well-tolerated in animal studies at effective doses, with no significant toxicity observed. Its in vivo efficacy supports the therapeutic potential of HDAC3 inhibitors for cancer treatment.
|
| Enzyme Assay |
Cell-free enzyme assays for HDAC3-IN-T247 involve measuring its inhibition of HDAC3 activity. These assays typically use purified HDAC3 enzyme in complex with its co-repressor proteins (such as NCOR1 or SMRT) and a fluorogenic substrate (such as a peptide with an acetylated lysine). The enzyme is incubated with the substrate and various concentrations of the compound. After incubation, a developer solution is added to generate a fluorescent signal, which is measured using a fluorometer. IC₅₀ values are calculated from dose-response curves.
|
| Cell Assay |
In vitro cellular assays for HDAC3-IN-T247 use various cancer cell lines to assess its antiproliferative and apoptotic effects. Cells are seeded in multi-well plates and treated with various concentrations of the compound. Cell viability is measured using MTT or CCK-8 assays. Histone acetylation is assessed by Western blot. Cell cycle analysis is performed by flow cytometry. Apoptosis is assessed by Annexin V/PI staining or by measuring caspase activity. Gene expression changes are measured by RT-PCR or RNA-seq.
|
| Animal Protocol |
In vivo animal studies for HDAC3-IN-T247 are conducted in mouse xenograft models. Immunodeficient mice are inoculated with cancer cells, and when tumors reach a certain size, animals are randomized to receive the compound or vehicle control. The compound is administered via oral gavage or intraperitoneal injection. Tumor growth is monitored. At the end of the study, tumors are collected for analysis of histone acetylation, gene expression, and apoptosis.
|
| ADME/Pharmacokinetics |
HDAC3-IN-T247 has a molecular formula of C₂₀H₂₄N₄O₂S and a molecular weight of 384.49. It is a selective HDAC3 inhibitor with good solubility and stability. The compound's pharmacokinetic properties include oral bioavailability and distribution to tissues. HDAC3-IN-T247 is metabolized primarily by the liver and excreted in urine and feces. Its pharmacokinetic profile supports further development for cancer therapy.
|
| References | |
| Additional Infomation |
HDAC3-IN-T247 is a selective inhibitor of HDAC3 that is used in research to study the role of HDAC3 in gene regulation, cell proliferation, and cancer. The compound represents a potential therapeutic strategy for targeting HDAC3 in cancer and other diseases. HDAC3-IN-T247 is for research use only and not for human therapeutic use. It has been studied as a lead compound for the development of HDAC3-selective inhibitors for cancer therapy.
|
| Molecular Formula |
C21H19N5OS
|
|---|---|
| Molecular Weight |
389.47
|
| Exact Mass |
389.131
|
| CAS # |
1451042-18-4
|
| PubChem CID |
71721946
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Melting Point |
236 °C
|
| Index of Refraction |
1.706
|
| LogP |
2.58
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
28
|
| Complexity |
513
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
LBLSLSOENGWIHL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H19N5OS/c22-18-3-1-2-4-19(18)23-21(27)17-7-5-16(6-8-17)20-13-26(25-24-20)11-9-15-10-12-28-14-15/h1-8,10,12-14H,9,11,22H2,(H,23,27)
|
| Chemical Name |
N-(2-aminophenyl)-4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]benzamide
|
| Synonyms |
HDAC3INT247; HDAC3 IN T247; HDAC3-IN-T247
|
| 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 (In Vitro) |
DMSO : ~25 mg/mL (~64.19 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
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 | 2.5676 mL | 12.8380 mL | 25.6759 mL | |
| 5 mM | 0.5135 mL | 2.5676 mL | 5.1352 mL | |
| 10 mM | 0.2568 mL | 1.2838 mL | 2.5676 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
