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J14

Alias: J14; J-14
Cat No.:V40654 Purity: ≥98%
J14 is a reversible sulfiredoxin inhibitor (antagonist) with IC50 of 8.1 μM.
J14
J14 Chemical Structure CAS No.: 1043854-13-2
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
J14 is a reversible sulfiredoxin inhibitor (antagonist) with IC50 of 8.1 μM. J14 induces oxidative stress (resulting in intracellular ROS accumulation) by inhibiting sulfiredoxin, leading to cell toxicity/cytotoxicity and cancer/tumor cell death.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
J14 (0-100 μM; 0-96 hours; A549 cells) treatment inhibits A549 cell growth in a concentration- and time-dependent manner; 15.7 μM is the half-inhibitory concentration [1]. Treatment (48–72 hours; A549 cells) activates caspase-3 and caspase-9 in addition to releasing cytochrome c into the cytoplasm. J14 causes mitochondrial oxidative damage, which triggers caspase-mediated cell sanitization [1]. Intracellular ROS accumulation and sulfinate peroxidase were both markedly elevated by J14 treatment. When intracellular ROS build up excessively, oxidative damage results, ultimately leading to cell death. J14 significantly and time-pullingly promotes cell death in A549 cells, with around 40% of the cells dying in 96 hours [1]. Insulation of cells and J14 sensor short circuit damage [1]. Cells
ln Vivo
J14 (50 mg/kg; i.p.; daily; for 16 days; BALB/c female nude mice) therapy significantly reduced mean tumor volume. Compared with the control experiment, the main tumor mass of the J14 treatment experiment
Cell Assay
Cell Viability Assay [1] Cells
Cell Types: A549 Cell
Tested Concentrations: 0-100 μM
Incubation Duration: 0 hrs (hours), 24 hrs (hours), 48 hrs (hours), 72 hrs (hours), 96 hrs (hours)
Experimental Results: Inhibited the growth of A549 cells in a concentration- and time-dependent manner.

Western Blot Analysis [1]
Cell Types: A549 cells
Tested Concentrations: 20 μM
Incubation Duration: 48 hrs (hours), 72 hrs (hours)
Experimental Results: Not only caused the release of cytochrome c into the cytoplasm, but also caused the activation of caspase-3 and caspase-9.
Animal Protocol
Animal/Disease Models: Sixweeks old BALB/c female nude mice injected with A549 cells [1]
Doses: 50 mg/kg
Route of Administration: intraperitoneal (ip) injection; and weight were Dramatically reduce[1]. Routine; 16-day
Experimental Results: Significant reduction in human lung tumor growth with no acute toxicity.
References

[1]. Sulfiredoxin inhibitor induces preferential death of cancer cells through reactive oxygen species-mediated mitochondrial damage. Free Radic Biol Med. 2016 Feb;91:264-74.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C28H25CLN4O2S
Molecular Weight
517.0417
Exact Mass
516.138
CAS #
1043854-13-2
PubChem CID
45987688
Appearance
White to off-white solid powder
LogP
6.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Heavy Atom Count
36
Complexity
695
Defined Atom Stereocenter Count
0
SMILES
ClC1=C([H])C([H])=C([H])C([H])=C1N1C([H])([H])C([H])([H])N(C2C([H])=C(C3C([H])=C([H])C([H])=C([H])C=3[H])N=C(N=2)SC([H])([H])C2C([H])=C([H])C(C(=O)O[H])=C([H])C=2[H])C([H])([H])C1([H])[H]
InChi Key
RSHUJZXWKLIBRE-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H25ClN4O2S/c29-23-8-4-5-9-25(23)32-14-16-33(17-15-32)26-18-24(21-6-2-1-3-7-21)30-28(31-26)36-19-20-10-12-22(13-11-20)27(34)35/h1-13,18H,14-17,19H2,(H,34,35)
Chemical Name
4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoic acid
Synonyms
J14; J-14
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

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 : ≥ 125 mg/mL (~241.76 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.17 mg/mL (4.20 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 21.7 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: ≥ 2.17 mg/mL (4.20 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 21.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.9341 mL 9.6704 mL 19.3409 mL
5 mM 0.3868 mL 1.9341 mL 3.8682 mL
10 mM 0.1934 mL 0.9670 mL 1.9341 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

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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?
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  • 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:
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  • 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
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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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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