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Oleic acid-d2 (9-cis-Octadecenoic acid-d2; 9Z-Octadecenoic acid-d2) 5711-29-5

Oleic acid-d2 (9-cis-Octadecenoic acid-d2; 9Z-Octadecenoic acid-d2) 5711-29-5

CAS No.: 5711-29-5

Oleic acid-d2) is the deuterated form of Oleic acid. Oleic acid (9-cis-Octadecenoic acid) is the most common monounsatur
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Oleic acid-d2) is the deuterated form of Oleic acid. Oleic acid (9-cis-Octadecenoic acid) is the most common monounsaturated fatty acid found in human adipocytes and other tissues. Oleic acid is a Na+/K+ ATPase activator.

Physicochemical Properties


Molecular Formula C18H32D2O2
Molecular Weight 282.46136
Exact Mass 284.268
CAS # 5711-29-5
Related CAS # Oleic acid;112-80-1
PubChem CID 13011408
Appearance Colorless to light yellow liquid
Density 0.896 g/mL at 25ºC
Boiling Point 192-195ºC/1.2 mmHg(lit.)
Melting Point 13.4ºC(lit.)
LogP 6.108
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 15
Heavy Atom Count 20
Complexity 234
Defined Atom Stereocenter Count 0
SMILES

CCCCCCCCC=CCCCCCCCC(=O)O

InChi Key ZQPPMHVWECSIRJ-FGFBQCSHSA-N
InChi Code

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i9D,10D
Chemical Name

(Z)-9,10-dideuteriooctadec-9-enoic acid
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)

Biological Activity


ln Vitro Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.


Solubility Data


Solubility (In Vitro) DMSO : 100 mg/mL (351.53 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (8.79 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 25.0 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: ≥ 2.5 mg/mL (8.79 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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 3: ≥ 2.5 mg/mL (8.79 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 3.5403 mL 17.7016 mL 35.4032 mL
5 mM 0.7081 mL 3.5403 mL 7.0806 mL
10 mM 0.3540 mL 1.7702 mL 3.5403 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.