TDFA

TDFA is an inhibitor of protein arginine deiminase 4 (PAD4).

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.

CAT No: R0862

CAS No:1345019-64-8

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M.F/Formula
C17H29FN6O7
M.W/Mr.
448.45
Sequence
Ac-TD-X
Labeling Target
Protein arginine deiminase 4 (PAD4).
Activity
Inhibitor
Areas of Interest
Cancer

TDFA, or Tridecafluoroheptanoic acid, is a perfluorinated carboxylic acid characterized by a seven-carbon backbone fully substituted with fluorine atoms except for the terminal carboxyl group. As a member of the perfluoroalkyl acid (PFAA) family, TDFA is valued in biochemical research and industrial applications for its unique physicochemical properties, including pronounced hydrophobicity, thermal stability, and chemical inertness. Its distinctive structural attributes make it an important tool for investigating fluorinated compound behavior, environmental fate, and surface chemistry, as well as a versatile reagent in analytical and synthetic contexts.

Analytical reference standard: TDFA is frequently employed as a reference standard in analytical chemistry, particularly for the detection and quantification of perfluorinated compounds in environmental and biological samples. Its well-defined structure and stability enable accurate calibration and validation of chromatographic and mass spectrometric methods, supporting the precise measurement of trace-level contaminants in complex matrices. Use as a standard facilitates the development of robust analytical protocols for monitoring perfluoroalkyl substances in water, soil, and biota.

Environmental fate and transport studies: Researchers utilize tridecafluoroheptanoic acid to model the environmental behavior of perfluoroalkyl acids, which are of significant concern due to their persistence and mobility. Laboratory and field studies involving TDFA help elucidate mechanisms of sorption, desorption, and transport in various media, providing insights into the compound's distribution, bioaccumulation potential, and long-range environmental movement. These investigations inform risk assessments and remediation strategies for fluorinated organic pollutants.

Surface modification and materials science: The pronounced hydrophobic and lipophobic nature of TDFA makes it a valuable agent for surface modification in materials science. It can be used to functionalize substrates, imparting non-wetting or anti-fouling properties to polymers, glass, metals, and other materials. Such modifications are relevant in the development of advanced coatings, membranes, and composite materials where resistance to water, oils, and chemical agents is desired. The carboxylic acid functionality allows for covalent attachment to a variety of surfaces, broadening its utility in materials engineering.

Synthetic chemistry reagent: In organic synthesis, TDFA serves as a fluorinated building block for the preparation of more complex molecules. Its incorporation into chemical structures can confer unique electronic and steric effects, enabling the design of molecules with tailored properties for research and industrial applications. The compound is often used in the synthesis of specialty surfactants, fluorinated intermediates, and probes for chemical biology, where the presence of multiple fluorine atoms is advantageous for tuning solubility, reactivity, or detection characteristics.

Toxicological and metabolic research: TDFA is also employed in laboratory studies aimed at understanding the toxicological and metabolic behavior of perfluoroalkyl acids. By serving as a model compound, it enables the investigation of uptake, distribution, biotransformation, and elimination pathways in various biological systems. Such research contributes to the broader understanding of the health and ecological impacts associated with exposure to persistent fluorinated chemicals, supporting the development of safer chemical alternatives and informed regulatory decision-making.

Solubility
-20 °C
InChI
InChI=1S/C17H29FN6O7/c1-8(25)14(22-9(2)26)17(31)24-11(6-13(27)28)16(30)23-10(15(20)29)4-3-5-21-12(19)7-18/h8,10-11,14,25H,3-7H2,1-2H3,(H2,19,21)(H2,20,29)(H,22,26)(H,23,30)(H,24,31)(H,27,28)/t8-,10+,11+,14+/m1/s1
InChI Key
SOZMHIJABUOUSN-ORMVGFHCSA-N
Isomeric SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(CF)N)C(=O)N)NC(=O)C)O

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