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Palmitic acid-d31 (palmitic acid d31) 39756-30-4

Palmitic acid-d31 (palmitic acid d31) 39756-30-4

CAS No.: 39756-30-4

Palmitic acid-d31 is the deuterated form of Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly f
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Palmitic acid-d31 is the deuterated form of Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in animals and plants. Palmitic acid can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer-binding protein homologous protein (CHOP) in mouse granulosa cells.

Physicochemical Properties


Molecular Formula C16HD31O2
Molecular Weight 287.62
Exact Mass 256.24
CAS # 39756-30-4
Related CAS # Palmitic acid;57-10-3;Palmitic acid sodium;408-35-5;Palmitic acid-d2;62689-96-7;Palmitic acid-15,15,16,16,16-d5;285979-77-3
PubChem CID 16212358
Appearance White to off-white solid powder
Density 0.9±0.1 g/cm3
Boiling Point 340.6±5.0 °C at 760 mmHg
Melting Point 61-64ºC(lit.)
Flash Point 154.1±12.5 °C
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.454
LogP 7.15
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 14
Heavy Atom Count 18
Complexity 178
Defined Atom Stereocenter Count 0
SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O

InChi Key IPCSVZSSVZVIGE-SAQPIRCFSA-N
InChi Code

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
Chemical Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic 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

Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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.

[2]. Antitumor activity of palmitic acid found as a selective cytotoxic substance in a marine red alga. Anticancer Res. 2002 Sep-Oct;22(5):2587-90.

Additional Infomation Palmitic acid-d31 is a C16 straight-chain saturated fatty acid where the aliphatic hydrogens have been replaced by deuterium atoms. It is a deuterated fatty acid, a long-chain fatty acid and a straight-chain saturated fatty acid. It is functionally related to a hexadecanoic acid.

Solubility Data


Solubility (In Vitro) DMSO : 100 mg/mL (347.68 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (8.69 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 3.4768 mL 17.3840 mL 34.7681 mL
5 mM 0.6954 mL 3.4768 mL 6.9536 mL
10 mM 0.3477 mL 1.7384 mL 3.4768 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.