| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Targets |
The primary target of JIB-04 Z-isomer is Jumonji C (JmjC) domain-containing histone demethylases, a family of enzymes that remove methyl groups from lysine residues on histone proteins. JmjC demethylases play critical roles in regulating gene expression, chromatin structure, and cellular differentiation. JIB-04 Z-isomer acts as a pan-inhibitor of JmjC demethylases, including KDM4 and KDM5 family members. By inhibiting these enzymes, the compound alters histone methylation patterns and modulates gene expression, leading to anti-cancer effects.
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| ln Vitro |
JIB-04 prevents other α-ketoglutarate-dependent hydroxylases and histone-modifying enzymes from interfering with the demethylase activity of Jumonji enzyme in vitro and in cells [1].
In vitro, JIB-04 Z-isomer inhibits JmjC histone demethylase activity, altering histone methylation patterns and modulating gene expression. This leads to anti-cancer effects in various cancer cell lines. The compound's ability to inhibit multiple JmjC demethylases makes it a valuable tool for studying the role of histone demethylation in gene regulation and cancer. However, specific IC50 values or detailed activity data is not provided in the available sources. |
| ln Vivo |
In vivo, JIB-04 Z-isomer has been studied for its anti-cancer activity. By inhibiting JmjC histone demethylases, the compound modulates gene expression and suppresses tumor growth. However, specific in vivo efficacy data from animal models is not detailed in the available sources. The compound is for research use only and not for therapeutic applications.
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| Enzyme Assay |
For JmjC histone demethylase inhibitors, standard cell-free assays involve measuring the demethylase activity of recombinant JmjC enzymes using biotinylated histone peptides as substrates. The compound is incubated with the enzyme and substrate, and the demethylation reaction is detected by AlphaScreen, ELISA, or mass spectrometry to determine IC50 values.
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| Cell Assay |
For JmjC histone demethylase inhibitors, standard cellular assays involve treatment of cancer cell lines with the test compound for 48-72 hours. Histone methylation levels (e.g., H3K4me3, H3K9me3, H3K36me3) are measured by western blot or mass spectrometry. Gene expression changes are assessed by RNA-seq or qPCR. Cell viability (MTT or CellTiter-Glo) and proliferation are assessed.
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| Animal Protocol |
For in vivo evaluation of JmjC histone demethylase inhibitors, standard animal models include tumor xenograft models using cancer cell lines sensitive to JmjC inhibition. The compound is typically administered orally or intraperitoneally for 2-4 weeks. Tumor growth, histone methylation, gene expression, and survival are assessed.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic data for JIB-04 Z-isomer is not provided in the available sources. As a small molecule with moderate lipophilicity, it would be expected to have reasonable cell permeability. Comprehensive pharmacokinetic studies would be required for therapeutic development.
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| Toxicity/Toxicokinetics |
Detailed toxicology data for JIB-04 Z-isomer is not provided in the available sources. As a research compound targeting histone demethylases, standard preclinical toxicology would be required for therapeutic development. The compound's effects on histone methylation and gene expression in normal cells would need to be evaluated. The compound is for research use only and not for therapeutic applications.
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| References |
[1]. Wang L, et al. A small molecule modulates Jumonji histone demethylase activity and selectively inhibits cancer growth. Nat Commun. 2013;4:2035.
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| Additional Infomation |
JIB-04 Z-isomer is a pan-inhibitor of JmjC histone demethylases, targeting KDM4, KDM5, and other family members. It has been studied for its anti-cancer activity and its ability to modulate gene expression through histone methylation changes. No regulatory approval has been identified.
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| Molecular Formula |
C17H13CLN4
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|---|---|
| Molecular Weight |
308.76492190361
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| Exact Mass |
308.082
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| CAS # |
199596-24-2
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| Related CAS # |
JIB-04;199596-05-9
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| PubChem CID |
6519698
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
472.9±55.0 °C at 760 mmHg
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| Flash Point |
239.8±31.5 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.644
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| LogP |
3.92
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
368
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CN=C(C=C1)N/N=C(/C1C=CC=CN=1)\C1C=CC=CC=1
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| InChi Key |
YHHFKWKMXWRVTJ-XLNRJJMWSA-N
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| InChi Code |
InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17-
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| Chemical Name |
(Z)-5-chloro-2-(2-(phenyl(pyridin-2-yl)methylene)hydrazinyl)pyridine
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| Synonyms |
JIB-04 Z-isomer, NSC-693627 NSC 693627 NSC693627.
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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 : ~6 mg/mL (~19.43 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.6 mg/mL (1.94 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 6.0 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: ≥ 0.6 mg/mL (1.94 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 6.0 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: ≥ 0.6 mg/mL (1.94 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 | 3.2388 mL | 16.1938 mL | 32.3876 mL | |
| 5 mM | 0.6478 mL | 3.2388 mL | 6.4775 mL | |
| 10 mM | 0.3239 mL | 1.6194 mL | 3.2388 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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