75736-49-1 Usage
Description
Hexadecanoic-7,7,8,8-D4 Acid, with the CAS number 75736-49-1, is an isotopically labeled research compound that is utilized in various scientific studies and experiments. HEXADECANOIC-7,7,8,8-D4 ACID is characterized by its stable isotope labeling, which allows for enhanced tracking and analysis of its behavior in different chemical and biological systems.
Uses
Used in Scientific Research:
Hexadecanoic-7,7,8,8-D4 Acid is used as a research compound for its isotopically labeled properties, which enable scientists to study metabolic pathways, enzymatic reactions, and other biochemical processes with greater precision and accuracy. The incorporation of deuterium atoms into the molecule provides a distinct signature that can be easily distinguished from its non-labeled counterpart, facilitating the monitoring of its behavior in complex biological systems.
Used in Metabolic Studies:
In the field of metabolism, Hexadecanoic-7,7,8,8-D4 Acid serves as a valuable tool for investigating lipid metabolism and the role of fatty acids in various physiological and pathological conditions. Its stable isotope labeling allows researchers to trace the metabolic fate of the compound and gain insights into the mechanisms of lipid synthesis, breakdown, and transport.
Used in Drug Development:
Hexadecanoic-7,7,8,8-D4 Acid is also employed in drug development and pharmacokinetic studies, where it can help in understanding the absorption, distribution, metabolism, and excretion of drug candidates. The isotopically labeled compound can be used to differentiate between endogenous and administered substances, providing valuable information on drug metabolism and potential drug-drug interactions.
Used in Environmental Studies:
In environmental science, Hexadecanoic-7,7,8,8-D4 Acid can be utilized to study the fate and transport of pollutants and contaminants in the environment. Its stable isotope labeling allows for the tracking of the compound in various environmental matrices, such as soil, water, and air, and can provide insights into the behavior and persistence of similar compounds in the environment.
Used in Analytical Chemistry:
Hexadecanoic-7,7,8,8-D4 Acid is used as an internal standard or a calibration standard in analytical chemistry, particularly in techniques such as mass spectrometry and nuclear magnetic resonance spectroscopy. Its stable isotopic composition ensures accurate quantification and reliable comparison of experimental data, improving the precision and reliability of analytical results.
Check Digit Verification of cas no
The CAS Registry Mumber 75736-49-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,5,7,3 and 6 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 75736-49:
(7*7)+(6*5)+(5*7)+(4*3)+(3*6)+(2*4)+(1*9)=161
161 % 10 = 1
So 75736-49-1 is a valid CAS Registry Number.
75736-49-1Relevant articles and documents
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.
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.
