| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
HDAC8 (IC50 = 27.2 nM)
HDAC8-IN-1 specifically targets the histone deacetylase 8 (HDAC8) enzyme. HDAC8 is a member of the histone deacetylase family, which is responsible for removing acetyl groups from histone proteins, thereby regulating gene expression. By inhibiting HDAC8, the compound can alter gene expression patterns, leading to antiproliferative and pro-apoptotic effects in cancer cells. It has an IC50 of 27.2 nM. |
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| ln Vitro |
HDAC8-IN-1 is a HDAC8 inhibitor with an IC50 of 27.2 nM in cancer cell lines. HDAC8-IN-1 (compound 22 d) demonstrates cytotoxicity against human lung CL1-5 cells without appreciable cytotoxicity for normal IMR-90 cells. HDAC8-IN-1 has antiproliferative effects toward several human lung cancer cell lines (A549, H1299, and CL1-5)[1].
In vitro, HDAC8-IN-1 is a potent inhibitor of HDAC8, with an IC50 of 27.2 nM. It exhibits antiproliferative effects toward several human lung cancer cell lines, including A549, H1299, and CL1-5. Importantly, it demonstrates cytotoxicity against cancer cells without appreciable cytotoxicity for normal IMR-90 cells. This selectivity is a key feature of its in vitro profile. |
| ln Vivo |
In vivo, HDAC8-IN-1 is used in research to study the effects of HDAC8 inhibition. While specific in vivo efficacy data are not detailed in the provided sources, its selective cytotoxicity against cancer cells and its potent in vitro activity make it a candidate for study in animal models of cancer. It is a valuable tool for validating HDAC8 as a therapeutic target.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for HDAC8-IN-1 are performed using HDAC8 enzyme activity assays. In these assays, the HDAC8 enzyme is incubated with a substrate that becomes fluorescent upon deacetylation, in the presence of varying concentrations of the inhibitor. The enzyme's activity is measured by the fluorescence signal, and the IC50 of 27.2 nM is determined from the dose-response curve.
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| Cell Assay |
In vitro cellular assays for HDAC8-IN-1 are used to study its effects on cancer cells. Cells are treated with the compound, and key readouts include cell viability (MTT or CellTiter-Glo assays), apoptosis (Annexin V/PI staining), and the acetylation status of histone H3, which is a marker of HDAC8 activity. The compound's antiproliferative effects and its selectivity for cancer cells over normal cells are confirmed in these assays.
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| Animal Protocol |
In vivo animal studies for HDAC8-IN-1 are not extensively documented in the provided sources. As a tool for studying HDAC8 biology, it would be used in xenograft models using lung cancer cell lines. Tumor-bearing mice would be treated with the compound, and endpoints would include tumor growth inhibition and analysis of HDAC8 target engagement and histone acetylation in the tumor tissue.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of HDAC8-IN-1 are indicated by its molecular weight of 345.4 g/mol and a molecular formula of C₂₂H₁₉NO₃ (for the free base). Its solubility and other PK parameters are not detailed in the provided sources. For storage, it is typically kept as a powder at -20°C to maintain stability. These properties are important for its formulation and use in laboratory studies.
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| Toxicity/Toxicokinetics |
Toxicological data for HDAC8-IN-1 are limited, as it is a research compound. Its primary value is as a tool for studying HDAC8 biology. While specific toxicity profiles are not detailed, its selective cytotoxicity for cancer cells suggests a favorable therapeutic window. Comprehensive safety studies are not available in the public domain.
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| References | |
| Additional Infomation |
HDAC8-IN-1 is a research-use-only compound that acts as a potent and selective HDAC8 inhibitor. Its CAS number is 1417997-93-3. It is also known as MDK-7933. This compound is a valuable tool for researchers studying the role of HDAC8 in cancer and other diseases. It is not an approved drug.
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| Molecular Formula |
C22H19NO3
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|---|---|
| Molecular Weight |
345.391165971756
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| Exact Mass |
345.14
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| Elemental Analysis |
C, 76.50; H, 5.54; N, 4.06; O, 13.90
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| CAS # |
1417997-93-3
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| Related CAS # |
1417997-93-3
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| PubChem CID |
70676597
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
464
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC(=C(C=C1)/C=C/C(=O)NO)C2=CC=C(C=C2)C3=CC=CC=C3
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| InChi Key |
ASHPRZYGCOMVHO-WYMLVPIESA-N
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| InChi Code |
InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+
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| Chemical Name |
(E)-N-hydroxy-3-[4-methoxy-2-(4-phenylphenyl)phenyl]prop-2-enamide
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| Synonyms |
HDAC8-IN-1; HDAC8-IN 1
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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: ~50 mg/mL (~144.8 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.24 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.24 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8953 mL | 14.4764 mL | 28.9528 mL | |
| 5 mM | 0.5791 mL | 2.8953 mL | 5.7906 mL | |
| 10 mM | 0.2895 mL | 1.4476 mL | 2.8953 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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