| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Kd: 0.1-1 μM (HDAC2)[1]
HDAC2 (histone deacetylase 2). HDAC2‑IN‑2 is a selective HDAC2 inhibitor with a Kd of 0.1‑1 uM. It may also inhibit other class I HDACs (HDAC1, HDAC3) at higher concentrations. |
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| ln Vitro |
In cell‑free biochemical assays, HDAC2‑IN‑2 binds to HDAC2 with a Kd ranging from 0.1 to 1 uM. It is a selective inhibitor of HDAC2, though the exact IC₅0 and selectivity over other HDAC isozymes (HDAC1, HDAC3, HDAC6, HDAC8) are not provided in the available data. HDAC2‑IN‑2 is used as a chemical probe to study the role of HDAC2 in gene expression regulation and cell differentiation.
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| ln Vivo |
This entry is not available. As an HDAC2 inhibitor, HDAC2‑IN‑2 would be expected to increase the acetylation of histones at HDAC2 target gene loci, leading to altered gene expression. In cancer models, HDAC2 inhibition may lead to cell cycle arrest, differentiation, and apoptosis. In neuronal models, HDAC2 inhibition may enhance synaptic plasticity and memory formation. The specific in vivo activity of HDAC2‑IN‑2 has not been reported.
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| Enzyme Assay |
A general cell‑free protocol for HDAC2 inhibition: A fluorometric HDAC activity assay is used as described for other HDAC inhibitors. Recombinant human HDAC2 enzyme (10‑50 nM) is incubated with a fluorogenic acetylated peptide substrate (Boc‑Lys(Ac)-AMC, 50 uM) in assay buffer (50 mM Tris‑HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA) with varying concentrations of HDAC2‑IN‑2 (0.01 nM to 100 uM) at 37degC for 30 minutes. The reaction is stopped with developer solution containing trypsin. The AMC fluorescence is measured (excitation 380 nm, emission 460 nm). The IC₅0 is calculated. For selectivity profiling, HDAC2‑IN‑2 is tested against a panel of HDAC isozymes (HDAC1, HDAC3, HDAC6, HDAC8). The binding affinity (Kd) of 0.1‑1 uM is determined by a competition binding assay (e.g., using a fluorescent HDAC probe).
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| Cell Assay |
A general cellular protocol for HDAC2 inhibitors: Cancer cells (e.g., HeLa, HCT116, or MCF‑7 cells) or neuronal cells (e.g., SH‑SY5Y or primary cortical neurons) are seeded in 12‑well plates. Cells are treated with serial dilutions of HDAC2‑IN‑2 (0.1‑100 uM) for 24‑48 hours. For assessment of HDAC2 inhibition, cells are lysed and subjected to Western blot with anti‑acetyl‑histone H3 (Lys9/Lys14), anti‑acetyl‑histone H4 (Lys12), anti‑acetyl‑alpha‑tubulin (for HDAC6 selectivity control), and anti‑GAPDH antibodies. Increased acetylation of histones (but not alpha‑tubulin) would indicate selective inhibition of class I HDACs. Cell viability is assessed by MTT or CellTiter‑Glo assay. Apoptosis is assessed by Annexin V/PI staining and flow cytometry. For neuronal differentiation studies, cells are treated with HDAC2‑IN‑2 during differentiation, and markers of neuronal maturation (e.g., MAP2, beta‑tubulin III) are assessed by Western blot or IHC.
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| Animal Protocol |
A general animal protocol for HDAC2‑IN‑2: The specific in vivo efficacy of HDAC2‑IN‑2 has not been reported in the available data. A general protocol for a selective HDAC2 inhibitor would involve a xenograft tumor model (e.g., HCT116 colon cancer cells in nude mice) or a disease model where HDAC2 is implicated (e.g., a mouse model of Alzheimer‘s disease, such as the 5xFAD or APP/PS1 model). For cancer studies, mice would be treated with HDAC2‑IN‑2 via intraperitoneal (IP) injection at doses of 10, 30, and 100 mg/kg daily for 21 days. Tumor volume would be measured twice weekly. For Alzheimer‘s disease studies, mice would be treated with HDAC2‑IN‑2 for 4‑8 weeks, followed by assessment of cognitive function (Morris water maze, fear conditioning) and analysis of histone acetylation and gene expression in the hippocampus.
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| ADME/Pharmacokinetics |
A general PK protocol for HDAC2‑IN‑2: Male Sprague‑Dawley rats would be administered HDAC2‑IN‑2 via oral gavage (PO, 10 mg/kg) and intravenous (IV, 2 mg/kg). Blood samples would be collected at 0.083, 0.25, 0.5, 1, 2, 4, 8, 12, and 24 hours. Plasma concentrations would be quantified by LC‑MS/MS. PK parameters (Cmax, Tmax, AUC, t½, clearance, Vd, and oral bioavailability) would be calculated.
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| Toxicity/Toxicokinetics |
General toxicity protocol for HDAC2‑IN‑2: A 14‑day repeat‑dose toxicity study would be performed in ICR mice. HDAC2‑IN‑2 would be administered via intraperitoneal (IP) or oral gavage at doses of 5, 15, and 40 mg/kg/day for 14 days. Parameters would include clinical signs, body weight, food consumption, hematology (complete blood count, differential), serum chemistry (ALT, AST, BUN, creatinine), and histopathology of major organs (liver, kidney, spleen, heart, lung, bone marrow, gastrointestinal tract). Because HDAC2 is involved in neuronal function, neurobehavioral assessments (e.g., open field, rotarod) may also be included.
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| References | |
| Additional Infomation |
HDAC2‑IN‑2 (compound 124) has the molecular formula C1₈H1₅N3O3S and a molecular weight of 353.40 g/mol. The Kd value for HDAC2 is 0.1‑1 uM. The compound is described in World Intellectual Property Organization patent WO2015200619 A1 (Preparation of inhibitors of histone deacetylase). HDAC2 is a class I HDAC that is highly homologous to HDAC1 and HDAC3. Selective inhibition of HDAC2 is challenging due to the high sequence identity among class I HDACs. HDAC2‑IN‑2 is a research tool for exploring the specific biological roles of HDAC2. The compound is stored at -20degC as a powder. For research use only; not for human therapeutic use.
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| Molecular Formula |
C18H15N3O3S
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|---|---|
| Molecular Weight |
353.40
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| Exact Mass |
353.083
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| CAS # |
332169-78-5
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| PubChem CID |
135414174
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| Appearance |
Solid powder
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
570
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2
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| InChi Key |
LSTRZBSDKHNHDV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H15N3O3S/c1-11(22)19-13-8-6-12(7-9-13)16(23)10-25-18-20-15-5-3-2-4-14(15)17(24)21-18/h2-9H,10H2,1H3,(H,19,22)(H,20,21,24)
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| Chemical Name |
N-[4-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetyl]phenyl]acetamide
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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 : 23.81 mg/mL (67.37 mM; ultrasonic and adjust pH to 3 with 1 M HCL)
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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 | 2.8297 mL | 14.1483 mL | 28.2965 mL | |
| 5 mM | 0.5659 mL | 2.8297 mL | 5.6593 mL | |
| 10 mM | 0.2830 mL | 1.4148 mL | 2.8297 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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