| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
hHDAC1 0.189 μM (IC50) hHDAC2 0.227 μM (IC50) hHDAC3 0.440 μM (IC50) hHDAC10 0.446 μM (IC50)
HDAC-IN-52 targets histone deacetylases (HDACs), a family of enzymes that remove acetyl groups from histone proteins, thereby regulating gene expression. It specifically inhibits class I HDACs (HDAC1, HDAC2, HDAC3) and class IIb HDAC10. By inhibiting HDAC activity, HDAC-IN-52 alters the acetylation status of histones and non-histone proteins, leading to changes in gene expression that can induce cell cycle arrest, differentiation, and apoptosis in cancer cells. |
|---|---|
| ln Vitro |
HDAC-IN-52 (compound 8f) (72 hours) has IC50 values of 0.43, 1.28, and 0.37 μM, respectively, which inhibit the proliferation of HCT116, A549, and K562 cells[1]. After 48 hours, leukemia U937 cells were dramatically driven to die by HDAC-IN-52 (1–5 μM; 24-48 h), with G1 pre-stage arrest of 76% and 100%, respectively [1]. HDAC-IN-52 (1–5 μM; 48 h) downregulates cyclin D1 and BCL-2 while upregulating the mRNA expression of p21, BAX, and BAK[1].
In vitro, HDAC-IN-52 demonstrates potent inhibition of HDAC1 (IC50 = 0.189 µM), HDAC2 (IC50 = 0.227 µM), HDAC3 (IC50 = 0.440 µM), and HDAC10 (IC50 = 0.446 µM). As a pyridine-containing HDAC inhibitor, it effectively inhibits HDAC enzyme activity in biochemical assays. These in vitro characteristics support its use in studying HDAC biology and developing HDAC-targeted cancer therapies. |
| ln Vivo |
In vivo data for HDAC-IN-52 is limited in publicly available sources. As a potent HDAC inhibitor with activity against class I and IIb HDACs, the compound has potential applications in animal models of cancer. HDAC inhibitors have shown efficacy in various cancer models by inducing cell cycle arrest, differentiation, and apoptosis. However, specific published in vivo efficacy studies for HDAC-IN-52 are not widely reported. HDAC-IN-52 is primarily used as a research tool for studying HDAC biology and cancer therapeutics.
|
| Enzyme Assay |
The in vitro HDAC inhibition assay for HDAC-IN-52 uses recombinant HDAC1, HDAC2, HDAC3, and HDAC10 enzymes and a fluorogenic acetylated peptide substrate. Enzyme activity is measured by monitoring the increase in fluorescence upon deacetylation, and IC50 values are calculated from dose-response curves. Selectivity profiling against other HDAC isoforms is performed using similar assay formats to confirm specificity.
|
| Cell Assay |
Cellular assays for HDAC-IN-52 are conducted in cancer cell lines. Cells are treated with varying concentrations of HDAC-IN-52 for 24-72 hours. HDAC inhibition is confirmed by measuring histone acetylation levels using Western blotting. Cell viability and proliferation are measured using standard assays such as MTT or CellTiter-Glo. Apoptosis is assessed by flow cytometry using Annexin V/PI staining and caspase activity assays. Gene expression changes are analyzed by qPCR or RNA sequencing.
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| Animal Protocol |
In vivo studies for HDAC-IN-52 would typically involve xenograft mouse models of cancer. The compound would be administered via intraperitoneal or oral routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring tumor growth inhibition, with pharmacodynamic markers such as histone acetylation evaluated in tumor tissues. However, specific published in vivo protocols for HDAC-IN-52 are not available in the current literature. The compound is currently used as a research tool.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for HDAC-IN-52 is not extensively reported in publicly available sources. The compound has a molecular weight of 396.44 g/mol and a molecular formula of C24H20N4O2. It is soluble in DMSO. As a small molecule HDAC inhibitor, it is expected to have moderate bioavailability. Storage conditions: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. Detailed PK parameters such as half-life are not available in the current literature.
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| Toxicity/Toxicokinetics |
Toxicity data for HDAC-IN-52 is limited in publicly available sources. As with all research compounds, HDAC-IN-52 is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays and in vivo tolerability studies would be required for a complete toxicity assessment. HDAC inhibitors can have on-target toxicities that would need to be evaluated.
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| References | |
| Additional Infomation |
HDAC-IN-52 is a pyridine-containing HDAC inhibitor that targets class I HDACs (HDAC1, HDAC2, HDAC3) and class IIb HDAC10. It shows IC50 values of 0.189 µM for HDAC1, 0.227 µM for HDAC2, 0.440 µM for HDAC3, and 0.446 µM for HDAC10. HDAC-IN-52 can be used in cancer research. It has a molecular formula of C24H20N4O2 and a molecular weight of 396.44 g/mol. HDAC-IN-52 is a valuable tool for studying HDAC biology and developing cancer therapies.
|
| Molecular Formula |
C24H20N4O2
|
|---|---|
| Molecular Weight |
396.441205024719
|
| Exact Mass |
396.158
|
| CAS # |
2075787-77-6
|
| PubChem CID |
126571471
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
3.4
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
30
|
| Complexity |
598
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1(C(NC2=CC=CC=C2N)=O)=NC=C(NC(CC2=CC=C3C(=C2)C=CC=C3)=O)C=C1
|
| InChi Key |
MOHPPFRGEVZIHW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C24H20N4O2/c25-20-7-3-4-8-21(20)28-24(30)22-12-11-19(15-26-22)27-23(29)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-13,15H,14,25H2,(H,27,29)(H,28,30)
|
| Chemical Name |
N-(2-aminophenyl)-5-[(2-naphthalen-2-ylacetyl)amino]pyridine-2-carboxamide
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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)
|
| 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
|
|---|---|
| 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 | 2.5224 mL | 12.6122 mL | 25.2245 mL | |
| 5 mM | 0.5045 mL | 2.5224 mL | 5.0449 mL | |
| 10 mM | 0.2522 mL | 1.2612 mL | 2.5224 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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