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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Targets |
NKL 22 targets histone deacetylases (HDACs), specifically HDAC1 and HDAC3. By inhibiting these enzymes, it prevents the removal of acetyl groups from histone proteins, leading to a more relaxed chromatin structure and increased gene transcription. This mechanism is crucial for studying the epigenetic regulation of gene expression. It also shows selectivity, with IC50 values of 199 nM for HDAC1 and 69 nM for HDAC3.
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| ln Vitro |
In vitro, NKL 22 demonstrates potent HDAC inhibitory activity. It has been shown to increase frataxin (FXN) mRNA levels in cells from Friedreich's ataxia patients, bringing the FXN mRNA level to about 160% of that found in untreated carrier lymphocytes. This highlights its potential as a tool for studying diseases associated with gene silencing. It exhibits IC50 values of 199 nM for HDAC1 and 69 nM for HDAC3.
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| ln Vivo |
In vivo, NKL 22 has demonstrated efficacy in improving disease phenotypes in transgenic mouse models of Huntington's disease. By inhibiting HDAC1 and HDAC3, it can modulate gene expression and potentially ameliorate the transcriptional abnormalities associated with this disease. This makes it a valuable research tool for studying the therapeutic potential of HDAC inhibition in neurodegenerative disorders.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for NKL 22 are performed using HDAC enzyme activity assays. In these assays, the HDAC enzyme (e.g., HDAC1 or HDAC3) 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 values (199 nM for HDAC1 and 69 nM for HDAC3) are calculated from the dose-response curves.
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| Cell Assay |
In vitro cellular assays for NKL 22 involve treating cells with the compound and measuring its effects on gene expression. For example, in Friedreich's ataxia patient cells, the levels of FXN mRNA are measured by qRT-PCR. Additionally, the acetylation status of histones can be assessed by Western blotting using specific antibodies. These assays confirm the compound's mechanism of action and its ability to modulate gene expression in a cellular context.
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| Animal Protocol |
In vivo animal studies for NKL 22 are conducted in mouse models of disease. For example, in transgenic mouse models of Huntington's disease, animals are treated with NKL 22 to assess its effect on disease phenotypes. Endpoints include behavioral tests, analysis of transcriptional abnormalities, and histopathological examination of brain tissue. These studies are crucial for evaluating the compound's therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of NKL 22 are not detailed in the provided sources. It has a molecular weight of 325.40 g/mol and a molecular formula of C₁₉H₂₃N₃O₂. Its solubility is reported to be very low (0.033 g/L) in water. For storage, it is typically kept as a powder at -20°C. These properties are important for its formulation and handling in laboratory experiments.
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| Toxicity/Toxicokinetics |
Toxicological data for NKL 22 are not extensively detailed in the provided sources. As an HDAC inhibitor, its effects on gene expression could potentially affect normal cells. However, its use as a research tool is primarily focused on studying its mechanism and efficacy in disease models. Comprehensive safety studies are not available in the public domain for this research compound.
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| References |
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| Additional Infomation |
NKL 22 is a research-use-only compound that acts as a potent and selective HDAC inhibitor. It is also known as Histone Deacetylase Inhibitor IV and has the CAS number 537034-15-4. It is used as a tool to study the role of HDACs in various diseases, particularly neurodegenerative disorders like Huntington's disease. It is not an approved drug.
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| Molecular Formula |
C19H23N3O2
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|---|---|
| Molecular Weight |
325.412
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| Exact Mass |
325.179
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| CAS # |
537034-15-4
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| Related CAS # |
537034-15-4
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| PubChem CID |
9543539
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| Appearance |
White to off-white solid powder
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| Density |
1.213g/cm3
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| Boiling Point |
627.86ºC at 760 mmHg
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| Flash Point |
333.518ºC
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| Index of Refraction |
1.644
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| LogP |
5.676
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
24
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| Complexity |
394
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZAIULUYKQLVQFH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
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| Chemical Name |
N1-(2-aminophenyl)-N7-phenylheptanediamide
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| Synonyms |
HDAC inhibitor IV NKL 22 NKL-22 NKL22
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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 : ~100 mg/mL (~307.31 mM)
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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 | 3.0730 mL | 15.3652 mL | 30.7305 mL | |
| 5 mM | 0.6146 mL | 3.0730 mL | 6.1461 mL | |
| 10 mM | 0.3073 mL | 1.5365 mL | 3.0730 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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