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Ethyl docosa-4,7,10,13,16,19-hexaenoate

Cat No.:V29131 Purity: ≥98%
Ethyl cis-4,7,10,13,16,19-Docosahexaenoate is the ethyl ester of docosahexaenoic acid (DHA), an alcoholized fatty acid ethyl ester proposed in the reaction of tuna oil and lauryl alcohol.
Ethyl docosa-4,7,10,13,16,19-hexaenoate
Ethyl docosa-4,7,10,13,16,19-hexaenoate Chemical Structure CAS No.: 84494-72-4
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50mg
Other Sizes
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Product Description
Ethyl cis-4,7,10,13,16,19-Docosahexaenoate is the ethyl ester of docosahexaenoic acid (DHA), an alcoholized fatty acid ethyl ester proposed in the reaction of tuna oil and lauryl alcohol.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Immobilized lipase can be used to selectively alcoholyse ethyl esters generated from tuna oil and lauryl alcohol, therefore enriching cis-4,7,10,13,16, and 19-docosahexaenoic acid ethyl ester (also known as ethyl docosahexaenoate, or E-DHA) [1].
References
[1]. Yuji Shimada, et al. Purification of ethyl docosahexaenoate by selective alcoholysis of fatty acid ethyl esters with immobilized Rhizomucor miehei lipase. J Am Oil Chem Soc. 1998 Nov, 75(11): 1565–1571.
Additional Infomation
Docosa-4,7,10,13,16,19-hexaenoic acid ethyl ester is a polyunsaturated fatty ester.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C24H36O2
Molecular Weight
356.54144
Exact Mass
356.271
CAS #
84494-72-4
PubChem CID
6381521
Appearance
Typically exists as solid at room temperature
Density
0.9±0.1 g/cm3
Boiling Point
443.5±24.0 °C at 760 mmHg
Flash Point
102.1±21.2 °C
Vapour Pressure
0.0±1.1 mmHg at 25°C
Index of Refraction
1.504
LogP
7.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
16
Heavy Atom Count
26
Complexity
490
Defined Atom Stereocenter Count
0
SMILES
O=C(CCC=CCC=CCC=CCC=CCC=CCC=CCC)OCC
InChi Key
ITNKVODZACVXDS-YATCGRJWSA-N
InChi Code
InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5+,9-8+,12-11+,15-14+,18-17+,21-20+
Chemical Name
ethyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
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)
H2O : ~100 mg/mL (~280.47 mM)
DMSO : ~100 mg/mL (~280.47 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 2.5 mg/mL (7.01 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
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.

Solubility in Formulation 2: ≥ 2.5 mg/mL (7.01 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 25.0 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 2.8047 mL 14.0237 mL 28.0473 mL
5 mM 0.5609 mL 2.8047 mL 5.6095 mL
10 mM 0.2805 mL 1.4024 mL 2.8047 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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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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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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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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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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