39756-30-4 Usage
Uses
Used in Pharmaceutical Industry:
Hexadecanoic-d31 acid is used as a stable isotope-labeled compound for various pharmaceutical applications. Its incorporation into drug molecules allows for the tracking and analysis of metabolic pathways, as well as the study of drug distribution, metabolism, and excretion in the body. This is particularly useful in the development of new drugs and the understanding of their pharmacokinetics and pharmacodynamics.
Used in Research and Development:
In the field of research and development, Hexadecanoic-d31 acid is utilized as a valuable tool for studying the synthesis and metabolism of fatty acids. It can be used to investigate the mechanisms of fatty acid synthesis, as well as the role of fatty acids in various biological processes. This information can be crucial for the development of targeted therapies for conditions related to fatty acid metabolism, such as obesity, diabetes, and cardiovascular diseases.
Used in Nutritional Studies:
Hexadecanoic-d31 acid can be employed in nutritional studies to better understand the role of fatty acids in human health and disease. By using this isotope-labeled compound, researchers can track the absorption, metabolism, and utilization of fatty acids in the body, providing valuable insights into the optimal balance of fatty acids in the diet and their impact on overall health.
Used in Metabolic Disease Research:
In the context of metabolic disease research, Hexadecanoic-d31 acid can be used to study the alterations in fatty acid metabolism that occur in conditions such as obesity, type 2 diabetes, and cardiovascular disease. This can help researchers identify potential therapeutic targets and develop novel treatments for these prevalent health issues.
Used in Lipidomics:
Hexadecanoic-d31 acid is also used in lipidomics, the large-scale study of lipids and their interactions with other molecules in the body. As a stable isotope-labeled compound, it can be employed to quantify and identify specific lipid species, providing a deeper understanding of lipid metabolism and its role in various physiological and pathological processes.
Check Digit Verification of cas no
The CAS Registry Mumber 39756-30-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,7,5 and 6 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 39756-30:
(7*3)+(6*9)+(5*7)+(4*5)+(3*6)+(2*3)+(1*0)=154
154 % 10 = 4
So 39756-30-4 is a valid CAS Registry Number.
InChI:InChI=1/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
39756-30-4Relevant academic research and scientific papers
Mild and Direct Multiple Deuterium-Labeling of Saturated Fatty Acids
Yamada, Tsuyoshi,Park, Kwihwan,Yasukawa, Naoki,Morita, Kosuke,Monguchi, Yasunari,Sawama, Yoshinari,Sajiki, Hironao
supporting information, p. 3277 - 3282 (2016/10/21)
We have established a mild and direct platinum on carbon (Pt/C)-catalyzed multi-deuterium labeling of various saturated fatty acids including bioactive compounds with high deuterium efficiencies in a mixed solvent of isopropyl alcohol and deuterium oxide
Deuterium kinetic isotope effects on the dissociation of a protein-fatty acid complex in the gas phase
Liu, Lan,Michelsen, Klaus,Kitova, Elena N.,Schnier, Paul D.,Brown, Alex,Klassen, John S.
supporting information; scheme or table, p. 5931 - 5937 (2012/05/07)
Deuterium kinetic isotope effects (KIEs) are reported for the first time for the dissociation of a protein-ligand complex in the gas phase. Temperature-dependent rate constants were measured for the loss of neutral ligand from the deprotonated ions of the 1:1 complex of bovine β-lactoglobulin (Lg) and palmitic acid (PA), (Lg + PA)n- → Lgn- + PA, at the 6- and 7- charge states. At 25 °C, partial or complete deuteration of the acyl chain of PA results in a measurable inverse KIE for both charge states. The magnitude of the KIEs is temperature dependent, and Arrhenius analysis of the rate constants reveals that deuteration of PA results in a decrease in activation energy. In contrast, there is no measurable deuterium KIE for the dissociation of the (Lg + PA) complex in aqueous solution at pH 8. Deuterium KIEs were calculated using conventional transition-state theory with an assumption of a late dissociative transition state (TS), in which the ligand is free of the binding pocket. The vibrational frequencies of deuterated and non-deuterated PA in the gas phase and in various solvents (n-hexane, 1-chlorohexane, acetone, and water) were established computationally. The KIEs calculated from the corresponding differences in zero-point energies account qualitatively for the observation of an inverse KIE but do not account for the magnitude of the KIEs nor their temperature dependence. It is proposed that the dissociation of the (Lg + PA) complex in aqueous solution also proceeds through a late TS in which the acyl chain is extensively hydrated such that there is no significant differential change in the vibrational frequencies along the reaction coordinate and, consequently, no significant KIE.
