| Size | Price | Stock | Qty |
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| 10mg |
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| Other Sizes |
| Targets |
JMJD6-IN-1 targets JMJD6, a histone demethylase that removes methyl groups from lysine and arginine residues on histone proteins. JMJD6 is involved in transcriptional regulation and has been implicated in cancer progression. Inhibition of JMJD6 by this compound disrupts its demethylase activity, affecting gene expression and cellular proliferation.
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| ln Vitro |
JMJD6-IN-1 demonstrates potent in vitro inhibition of JMJD6 activity, with an inhibition rate of 82% at 10 μM. It suppresses the proliferation of MCF-7 breast cancer cells with an IC50 of 19.2 μM and HCC4006 lung cancer cells with an IC50 of 25.2 μM. These activities make it a valuable tool for studying JMJD6 function in cancer.
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| ln Vivo |
In vivo activity of JMJD6-IN-1 has not been extensively documented. As a JMJD6 inhibitor with antiproliferative activity against cancer cell lines, it has potential for in vivo efficacy in cancer models. Further in vivo studies are needed to evaluate its pharmacokinetic properties and antitumor activity.
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| Enzyme Assay |
In vitro enzyme assays for JMJD6-IN-1 involve measuring its inhibition of JMJD6 demethylase activity. The assay typically uses recombinant JMJD6 and a methylated histone peptide substrate. The compound's ability to inhibit demethylation is measured by quantifying the reduction in demethylated product, and the inhibition rate is calculated at a given concentration.
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| Cell Assay |
In vitro cellular assays for JMJD6-IN-1 involve treating MCF-7 or HCC4006 cancer cells with varying concentrations of the compound. Cell proliferation is assessed using MTT or other viability assays. The IC50 values are determined from dose-response curves. The compound's effects on JMJD6 activity can be assessed by measuring changes in histone methylation marks.
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| Animal Protocol |
In vivo animal experiments for JMJD6-IN-1 are not extensively documented. If used in animal models of cancer, typical protocols would involve administering the compound to tumor-bearing mice and evaluating efficacy by measuring tumor growth inhibition. Further studies are needed to characterize its in vivo activity and safety.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for JMJD6-IN-1 are limited. As a small molecule, its absorption, distribution, metabolism, and excretion properties would influence its bioavailability. Further pharmacokinetic studies are needed to determine its systemic exposure and elimination pathways for potential therapeutic applications.
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| Toxicity/Toxicokinetics |
Toxicological data for JMJD6-IN-1 are limited. As a research compound, comprehensive toxicological studies have not been reported. The compound is intended for research use only and is not for human therapeutic application. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
JMJD6-IN-1 (CAS#: 899548-78-8) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. The compound is a JMJD6 inhibitor with 82% inhibition at 10 μM. It inhibits MCF-7 and HCC4006 cell proliferation with IC50 values of 19.2 μM and 25.2 μM, respectively. It is used in cancer research.
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| Molecular Formula |
C16H11N3O2
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|---|---|
| Molecular Weight |
277.277443170547
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| Exact Mass |
277.085
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| CAS # |
899548-78-8
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| PubChem CID |
22424483
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.4
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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 |
1
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| Heavy Atom Count |
21
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| Complexity |
464
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C(C2NC3C(=CN=CC=3)N=2)=CC2C(=CC=C(C)C=2)O1
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| InChi Key |
AFTXOIIKGOXDOT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H11N3O2/c1-9-2-3-14-10(6-9)7-11(16(20)21-14)15-18-12-4-5-17-8-13(12)19-15/h2-8H,1H3,(H,18,19)
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| Chemical Name |
3-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methylchromen-2-one
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMF : 10 mg/mL (36.06 mM)
DMSO : 5 mg/mL (18.03 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 | 3.6065 mL | 18.0323 mL | 36.0646 mL | |
| 5 mM | 0.7213 mL | 3.6065 mL | 7.2129 mL | |
| 10 mM | 0.3606 mL | 1.8032 mL | 3.6065 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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