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Emeramide

Alias: BDETH2; BDET; BDTH2
Cat No.:V19302 Purity: ≥98%
Emeramide is a thiol redox antioxidant and heavy metal chelator.
Emeramide
Emeramide Chemical Structure CAS No.: 351994-94-0
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
500mg
Other Sizes
Official Supplier of:
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Product Description
Emeramide is a thiol redox antioxidant and heavy metal chelator.
Biological Activity I Assay Protocols (From Reference)
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H16N2O2S2
Molecular Weight
284.39
Exact Mass
284.065
CAS #
351994-94-0
PubChem CID
21133161
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
568.9±45.0 °C at 760 mmHg
Flash Point
297.9±28.7 °C
Vapour Pressure
0.0±1.6 mmHg at 25°C
Index of Refraction
1.595
LogP
1.16
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Heavy Atom Count
18
Complexity
261
Defined Atom Stereocenter Count
0
InChi Key
JUTBAVRYDAKVGQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)
Chemical Name
1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
Synonyms
BDETH2; BDET; BDTH2
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 is not stable in solution, please use freshly prepared working solution for optimal results.
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 (~351.62 mM)
H2O : ~1 mg/mL (~3.52 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.31 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 20.8 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: ≥ 2.08 mg/mL (7.31 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 20.8 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 3.5163 mL 17.5815 mL 35.1630 mL
5 mM 0.7033 mL 3.5163 mL 7.0326 mL
10 mM 0.3516 mL 1.7581 mL 3.5163 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
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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.

Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT04092205 COMPLETED Drug:Emeramide
Other Names:NBMI
Irminix
Beta Thalassemia Major EmeraMed 2019-11-21 Phase 2
NCT03123692 COMPLETED Drug:Emeramide
Drug:Placebo
COPD
COPD Bronchitis
EmeraMed 2017-01-01 Phase 2
NCT02486289 COMPLETED Drug:Emeramide
Drug:Placebo
Mercury Poisoning EmeraMed 2015-08 Phase 2
Biological Data
  • N,N′-bis(2-Mercaptoethyl)isopthalamide (NBMI) attenuates the mercury-induced phospholipase D (PLD) activation in a dose-dependent fashion in mouse aortic endothelial cells (MAECs). The MAECs (5 × 105 cells/35 mm dish) were labeled with [32P]orthophosphate in phosphate-free Dulbecco-modified Eagle medium (DMEM) for 12 hours. Following [32P]orthophosphate labeling, MAECs were treated with minimal essential medium (MEM) alone or MEM containing different concentrations (5, 10, and 25 μmol/L) of mercury(II) chloride, methylmercury, and thimerosal for 1 hour (A) in the presence of 0.05% (volume/volume [vol/vol]) 1-butanol. The MAECs were also labeled with [32P]orthophosphate, then pretreated with MEM or different concentrations of MEM containing NBMI (10, 25, and 50 μmol/L) for 1 hour, then treated with mercury(II) chloride (25 μmol/L) (B); methylmercury (10 μmol/L) (C); and thimerosal (25 μmol/L); (D), for 1 hour in the presence of 0.05% (vol/vol) 1-butanol. At the end of the incubation period, [32P] PBt formed was determined. Data represent mean ± standard deviation (SD) calculated from 3 independent experiments. *Significantly different at P < .05 as compared to cells treated with MEM alone. **Significantly different at P < .05 as compared to cells treated with MEM containing mercury alone. Int J Toxicol. 2011 Dec;30(6):619-38.
  • N,N′-bis(2-Mercaptoethyl)isopthalamide (NBMI) attenuates the mercury-induced phospholipase D (PLD) activation in similar fashion to N-acetyl-l-cysteine (NAC) and meso-2,3-dimercaptosuccinic acid (DMSA) in mouse aortic endothelial cells (MAECs). The MAECs (5 × 105 cells/35 mm dish) were labeled with [32P]orthophosphate in phosphate-free Dulbecco-modified Eagle medium (DMEM) for 12 hours. Following [32P]orthophosphate labeling, cells were pretreated with minimal essential medium (MEM) alone or MEM containing NBMI (50 μmol/L) and MEM containing NAC (50 μmol/L, A and 5 mmol/L, B) or DMSA (50 (C) μmol/L and 5 mmol/L (D)) for 1 hour. After pretreatment, cells were treated with MEM alone or MEM containing methylmercury (10 μmol/L) or thimerosal (25 μmol/L) for 1 hour in the presence of 0.05% (volume/volume [vol/vol]) 1-butanol. At the end of the incubation period, [32P]phosphatidylbutanol ([32P]PBt) formed was determined. Data represent mean ± standard deviation (SD) calculated from 3 independent experiments. *Significantly different at P < .05 as compared to cells treated with MEM alone. **Significantly different at P < .05 as compared to cells treated with MEM containing mercury alone. Int J Toxicol. 2011 Dec;30(6):619-38.
  • N,N′-bis(2-Mercaptoethyl)isopthalamide (NBMI) attenuates the mercury-induced phospholipase D1 (PLD1) and PLD2 in situ translocation. Mouse aortic endothelial cells (MAECs) cultured on coverslips (5 × 105 cells/35 mm dish) were pretreated with minimal essential medium (MEM) alone or MEM containing NBMI (50 μmol/L) for 1 hour then treated with MEM alone or MEM containing methylmercury (5 and 10 μmol/L) and thimerosal (10 and 25 μmol/L) for 1 hour. At the end of the incubation period, the cells were fixed, stained for PLD1 (A and B) and PLD2 (C and D), and visualized using confocal fluorescent microscopy. Each digitally captured image is a representative picture obtained from 3 independent experiments conducted under identical conditions. Int J Toxicol. 2011 Dec;30(6):619-38.
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