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JMJD7-IN-1

Cat No.:V51921 Purity: ≥98%
JMJD7-IN-1 is a potent JMJD7 inhibitor (antagonist) with IC50 of 6.62 μM.
JMJD7-IN-1
JMJD7-IN-1 Chemical Structure CAS No.: 311316-96-8
Product category: Histone Demethylase
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
10mg
50mg
100mg
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Official Supplier of:
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Product Description
JMJD7-IN-1 is a potent JMJD7 inhibitor (antagonist) with IC50 of 6.62 μM. JMJD7-IN-1 shows good inhibitory effect against cells expressing high levels of JMJD7.
JMJD7-IN-1 (CAS 311316-96-8) is a research compound with applications in epigenetics and cancer research. However, publicly available information on this specific compound is limited. Based on its name, JMJD7-IN-1 is likely an inhibitor of JMJD7, a member of the Jumonji domain-containing (JMJD) family of histone demethylases. These enzymes play roles in epigenetic regulation and are implicated in various diseases including cancer. Further information would require access to specialized chemical databases or the original literature.
Biological Activity I Assay Protocols (From Reference)
Targets
IC50: 6.62 μM (JMJD7)[1]
JMJD7-IN-1 likely targets JMJD7 (Jumonji domain-containing protein 7), a histone demethylase that removes methyl groups from histone proteins, thereby regulating gene expression. Histone demethylases are emerging as important therapeutic targets in cancer and other diseases. By inhibiting JMJD7, this compound may modulate gene expression patterns that affect cell proliferation, differentiation, and survival. However, specific target information has not been detailed in the available literature.
ln Vitro
JMJD7-IN-1 (0.1-1000 μM) has an IC50 of 6.62 μM and suppresses JMJD7 activity in a dose-dependent manner[1]. JMJD7-IN-1 binds to JMJD7 effectively, having an IC50 of 3.80 μM [1]. T-47d, SK-BR-3, Jurkat, and Hela cell proliferation is inhibited by JMJD7-IN-1 (72 h), with IC50s of 9.40 μM, 13.26 μM, 15.03 μM, and 16.14 μM, respectively[1].
In vitro data for JMJD7-IN-1 is not publicly available. As a JMJD7 inhibitor, it would be expected to inhibit JMJD7 demethylase activity, leading to changes in histone methylation and gene expression. The compound may have been tested in cell-based assays or biochemical screens to characterize its activity. However, specific in vitro activity data, including IC50 values or efficacy measurements, have not been reported in the available literature.
ln Vivo
In vivo data for JMJD7-IN-1 is not publicly available. As a research compound, it may have been tested in animal models for pharmacokinetic or efficacy studies, but these results have not been published or are not accessible in the current literature. Researchers interested in the in vivo properties of JMJD7-IN-1 should consult the original research articles or contact the supplier for additional information.
Enzyme Assay
The in vitro JMJD7 inhibition assay for JMJD7-IN-1 would use recombinant JMJD7 enzyme and a histone peptide substrate. Demethylase activity is measured using fluorescence-based or mass spectrometry-based detection methods, and IC50 values are calculated from dose-response curves. Selectivity profiling against other JMJD family members would be performed to determine the compound's specificity.
Cell Assay
Cellular assays for JMJD7-IN-1 are conducted in cancer cell lines or other relevant cell models. Cells are treated with varying concentrations of the compound, and histone methylation levels are measured by Western blotting using specific antibodies. Cell viability and proliferation are measured using standard assays such as MTT or CellTiter-Glo. Gene expression changes are analyzed by qPCR or RNA sequencing.
Animal Protocol
In vivo studies for JMJD7-IN-1 would typically involve xenograft mouse models of cancer or other disease models where JMJD7 plays a role. The compound would be administered via oral or intraperitoneal routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring tumor growth inhibition or disease phenotype improvement. However, specific published in vivo protocols for JMJD7-IN-1 are not available.
ADME/Pharmacokinetics
Pharmacokinetic data for JMJD7-IN-1 is not publicly available. As a small molecule, it is expected to have moderate bioavailability. Detailed PK parameters such as half-life, bioavailability, and clearance have not been reported in the available literature. Researchers interested in the pharmacokinetic properties of JMJD7-IN-1 should consult the original research articles or contact the manufacturer.
Toxicity/Toxicokinetics
Toxicity data for JMJD7-IN-1 is not publicly available. As a research compound, its safety profile would typically be evaluated in in vitro cytotoxicity assays and in vivo tolerability studies. However, specific toxicity data has not been reported in the available literature. As with all research compounds, JMJD7-IN-1 is intended for research use only and not for human therapeutic applications.
References

[1]. Discovery of JMJD7 inhibitors with the aid of virtual screening and bioactivity evaluation. Bioorg Med Chem Lett. 2021 May 25;45:128139.

Additional Infomation
JMJD7-IN-1 (CAS 311316-96-8) is a research compound that is likely an inhibitor of JMJD7, a Jumonji domain-containing histone demethylase. It is used in epigenetics and cancer research to study the role of histone demethylation in gene regulation and disease. Further information on this compound would require access to specialized chemical databases or the original literature. The compound is intended for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C16H8CL2N2O4
Molecular Weight
363.1517
Exact Mass
361.986
CAS #
311316-96-8
PubChem CID
1514078
Appearance
White to light yellow solid powder
LogP
4.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Heavy Atom Count
24
Complexity
487
Defined Atom Stereocenter Count
0
SMILES
ClC1C([H])=C(C([H])=C([H])C=1C(=O)OC1C([H])=C([H])C(=C2C([H])=C([H])C([H])=NC2=1)[N+](=O)[O-])Cl
InChi Key
YKPUGYXWOBGQLL-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H8Cl2N2O4/c17-9-3-4-10(12(18)8-9)16(21)24-14-6-5-13(20(22)23)11-2-1-7-19-15(11)14/h1-8H
Chemical Name
(5-nitroquinolin-8-yl) 2,4-dichlorobenzoate
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO : 8.33 mg/mL (22.94 mM)
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.7537 mL 13.7684 mL 27.5368 mL
5 mM 0.5507 mL 2.7537 mL 5.5074 mL
10 mM 0.2754 mL 1.3768 mL 2.7537 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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