CAS 122021-01-6

2-ethylhexyl 4-(N-methyl-N-nitrosamino) benzoate

Description:

2-Ethylhexyl 4-(N-methyl-N-nitrosamino) benzoate, identified by its CAS number 122021-01-6, is a chemical compound that belongs to the class of nitrosamines, which are known for their potential carcinogenic properties. This substance features a benzoate ester structure, where the benzoate moiety is substituted with a nitrosamino group, specifically an N-methyl-N-nitrosamino group. The presence of the 2-ethylhexyl group contributes to its hydrophobic characteristics, influencing its solubility and interaction with biological systems. Typically, nitrosamines are formed through the reaction of secondary amines with nitrosating agents, and they are often studied for their stability and reactivity under various conditions. The compound may exhibit moderate volatility and can be sensitive to light and heat, which can affect its stability. Due to its structural characteristics, it may also participate in various chemical reactions, including hydrolysis and oxidation. Safety and handling precautions are essential when working with this compound, given the potential health risks associated with nitrosamines.

Formula: C₁₆H₂₄N₂O₃

InChI: InChI=1/C16H24N2O3/c1-4-6-7-13(5-2)12-21-16(19)14-8-10-15(11-9-14)18(3)17-20/h8-11,13H,4-7,12H2,1-3H3

SMILES: CCCCC(CC)COC(=O)c1ccc(cc1)N(C)N=O

Synonyms:

• 2-Ethylhexylpara-(N-Methyl-N-Nitrosamino)Benzoicacid
• N-Nitroso-N-Methyl-Para-Aminobenzoicacid,2-Ethylhexylester
• 2-Ethylhexyl 4-[Methyl(Nitroso)Amino]Benzoate

N-Nitroso Desmethyl Padimate O

CAS: 122021-01-6

Formula: C₁₆H₂₄N₂O₃

Molecular weight: 292.38

Ref: 4Z-P-440001

2-Ethylhexyl 4-[methyl(nitroso)amino]benzoate

Controlled Product

CAS: 122021-01-6

Applications 2-Ethylhexyl 4-[methyl(nitroso)amino]benzoate is an impurity of Padimate O(P133800) which is a cancer chemopreventive compound used in sunscreen formulations.
References Kapadia, G. et al.: Int. J. Cosm. Sci., 35, 143 (2013);

Formula: C₁₆H₂₄N₂O₃

Color and Shape: Neat

Molecular weight: 292.373

Ref: TR-E356600

2-Ethylhexyl 4-[methyl(nitroso)amino]benzoate

CAS: 122021-01-6

2-Ethylhexyl 4-[methyl(nitroso)amino]benzoate is an anticancer agent that has shown promising results in inhibiting tumor growth. It works by selectively targeting cancer cells and inducing apoptosis, or programmed cell death, which helps to prevent the spread of cancer cells. This compound has been found to inhibit the activity of certain proteins involved in regulating the cell cycle, which can help to slow down cancer cell growth. In addition, it has been shown to be a potent inhibitor of vitamin D receptor (VDR) activity, which is important for preventing the development of certain types of cancer. This compound has also demonstrated strong anticancer activity against various human cancer cell lines, including Chinese hamster ovary cells and urinary bladder carcinoma cells. Overall, 2-Ethylhexyl 4-[methyl(nitroso)amino]benzoate shows great potential as a powerful inhibitor of tumor growth and a promising candidate for future anticancer

Formula: C₁₆H₂₄N₂O₃

Purity: Min. 95%

Molecular weight: 292.37 g/mol

Ref: 3D-XEA02101