JTE-013 HCl

Alias: JTE 013; JTE-013; JTE013
Cat No.:V23005 Purity: ≥98%
JTE-013 HCl is a novelm potent, selective antagonist of sphingosine-1-phosphate 2 (S1P2) receptor, with IC50 of 17 and 22 nM, respectively, (IC50 >10 µM for for binding to human S1P1 and S1P3).
JTE-013 HCl Chemical Structure CAS No.: 383150-41-2
Product category: S1P Receptor
This product is for research use only, not for human use. We do not sell to patients.
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Product Description

JTE-013 HCl is a novelm potent, selective antagonist of sphingosine-1-phosphate 2 (S1P2) receptor, with IC50 of 17 and 22 nM, respectively, (IC50 >10 µM for for binding to human S1P1 and S1P3).

Biological Activity I Assay Protocols (From Reference)
ln Vitro
JTE-013 lowers cell viability at 50-200 μM for 1-3 days[1].
JTE-013 prevents S1P-induced ERK activation and reverses S1P-induced Akt inhibition[1].
JTE-013 exhibits a 4.2% inhibition of S1P3 and, at concentrations up to 10 μM, does not agitate S1P1[1].
ln Vivo
JTE-013 (gavage; 30 mg/kg daily for 14 days in a row) decreases tumor weight and size[1].
Cell Assay
Cell Line: SK-N-AS cells Concentration: 50, 100, 150, 200 μM Incubation Time: 1-3 days Result: Reduced cell viability.
Animal Protocol
Six-week-old female athymic NCr-nu/nu nude mice
30 mg/kg
Gavage; daily for 14 consecutive days
References

[1]. Antitumor Activity of a Novel Sphingosine-1-Phosphate 2 Antagonist, AB1, in Neuroblastoma. J Pharmacol Exp Ther. 2015 Sep;354(3):261-8.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C17H19CL2N7O
Molecular Weight
408.2851
Exact Mass
407.1
Elemental Analysis
C, 50.01; H, 4.69; Cl, 17.37; N, 24.01; O, 3.92
CAS #
383150-41-2
Appearance
Solid powder
SMILES
ClC1C([H])=C(C([H])=C(N=1)Cl)N([H])C(N([H])N([H])C1C([H])=C(C2C(C([H])([H])[H])=NN(C([H])([H])[H])C=2N=1)C([H])(C([H])([H])[H])C([H])([H])[H])=O
Synonyms
JTE 013; JTE-013; JTE013
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 : ~100 mg/mL (~244.92 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 0.83 mg/mL (2.03 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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 0.83 mg/mL (2.03 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 8.3 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 2.4492 mL 12.2462 mL 24.4924 mL
5 mM 0.4898 mL 2.4492 mL 4.8985 mL
10 mM 0.2449 mL 1.2246 mL 2.4492 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
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.

Biological Data
  • The biologic characteristics of JTE-013 and AB1. J Pharmacol Exp Ther . 2015 Sep;354(3):261-8.
  • Effect of JTE-013 and AB1 on GB cell migration. J Pharmacol Exp Ther . 2015 Sep;354(3):261-8.
  • Effect of JTE-013 and AB1 on the S1P2 signaling pathway in SK-N-AS cells. J Pharmacol Exp Ther . 2015 Sep;354(3):261-8.
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