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| Targets |
NSC-636819 targets KDM4A and KDM4B, which are histone demethylases that remove methyl groups from histone H3 lysine 9 (H3K9). KDM4A and KDM4B are potential progression factors in prostate cancer. By inhibiting these enzymes, NSC-636819 prevents the demethylation of H3K9me3, leading to changes in gene expression and apoptosis.
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| ln Vitro |
In vitro, NSC-636819 acts as a selective KDM4A/KDM4B inhibitor with IC₅₀ values of ~6.4 µM for KDM4A and 9.3 µM for KDM4B. It inhibits histone demethylase activity on H3K9me3. The compound induces apoptosis in LNCaP prostate cancer cells in vitro and negatively regulates androgen-responsive genes.
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| ln Vivo |
In vivo activity of NSC-636819 has been demonstrated in preclinical models of prostate cancer. As a KDM4A/KDM4B inhibitor, it has potential anticancer activity. The compound is used to investigate tumor suppression mechanisms and develop p53-based anticancer therapies.
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| Enzyme Assay |
The in vitro enzyme assay for NSC-636819 involves measuring its inhibitory activity against KDM4A and KDM4B histone demethylases in cell-free systems. These assays use purified enzyme preparations and measure the demethylation of H3K9me3 peptide substrates in the presence of the compound. Inhibitory potency is determined by assessing IC₅₀ values (~6.4 µM for KDM4A and 9.3 µM for KDM4B).
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| Cell Assay |
In vitro cellular assays for NSC-636819 are performed using prostate cancer cell lines such as LNCaP. These assays measure the compound's ability to inhibit histone demethylase activity, induce apoptosis, and regulate androgen-responsive gene expression. The compound's effects on H3K9me3 levels are assessed by Western blotting or immunohistochemistry.
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| Animal Protocol |
In vivo animal studies for NSC-636819 are conducted in mouse xenograft models of prostate cancer. These studies typically involve administration of the compound, followed by assessment of tumor growth inhibition, apoptosis, and changes in histone methylation markers. The compound's potential for treating prostate cancer is evaluated in these models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of NSC-636819 are characterized by its molecular properties: molecular formula C₂₂H₁₂Cl₄N₂O₄ and molecular weight 510.15 g/mol. The compound is soluble in DMSO and is cell-permeable. Its pharmacokinetic profile supports its use in preclinical research for prostate cancer.
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| Toxicity/Toxicokinetics |
Toxicology studies of NSC-636819 have been conducted to support its development as an anticancer agent. As a histone demethylase inhibitor, its toxicology profile includes effects on epigenetic regulation and gene expression. The compound's selectivity for KDM4A/KDM4B over other demethylases is an important aspect of its safety profile.
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| References | |
| Additional Infomation |
NSC-636819 (CAS: 1618672-71-1) is a selective KDM4A/KDM4B inhibitor with IC₅₀ values of ~6.4 µM for KDM4A and 9.3 µM for KDM4B. It inhibits histone demethylase activity on H3K9me3 and induces apoptosis in LNCaP prostate cancer cells. The compound has potential anticancer activity and is used for research of prostate cancer. It is for research use only.
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| Molecular Formula |
C22H12CL4N2O4
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|---|---|
| Molecular Weight |
510.148
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| Exact Mass |
507.955
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| CAS # |
1618672-71-1
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| PubChem CID |
6288112
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| Appearance |
Yellow to orange solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
625.5±55.0 °C at 760 mmHg
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| Flash Point |
332.1±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.753
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| LogP |
8.59
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
668
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])/C=C/C3=CC(=C(C=C3)Cl)Cl)Cl)Cl
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| InChi Key |
YYZPXBXVBQSBDG-IJIVKGSJSA-N
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| InChi Code |
InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+
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| Chemical Name |
1,5-bis[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,4-dinitrobenzene
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| Synonyms |
NSC-636819 NSC636819 NSC 636819
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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 | 1.9602 mL | 9.8010 mL | 19.6021 mL | |
| 5 mM | 0.3920 mL | 1.9602 mL | 3.9204 mL | |
| 10 mM | 0.1960 mL | 0.9801 mL | 1.9602 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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