306960-67-8 Usage
Description
ETHYL-2-TRIFLUOROMETHYL-4-METHYL-5-PYRIMIDINE CARBOXYLATE is an organic compound with the molecular formula C10H9F3N2O2. It is a derivative of pyrimidine, a heterocyclic compound with potential applications in the pharmaceutical and chemical industries due to its unique structural properties and reactivity.
Uses
Used in Pharmaceutical Research:
ETHYL-2-TRIFLUOROMETHYL-4-METHYL-5-PYRIMIDINE CARBOXYLATE is used as a research compound for the development of NF-κB and AP-1 gene inhibitors. These inhibitors play a crucial role in regulating cellular processes such as inflammation, immune response, and cell proliferation. By targeting these genes, this compound may contribute to the discovery of new therapeutic strategies for various diseases, including cancer and autoimmune disorders.
Used in Chemical Synthesis:
In the chemical industry, ETHYL-2-TRIFLUOROMETHYL-4-METHYL-5-PYRIMIDINE CARBOXYLATE can be used as a building block or intermediate in the synthesis of more complex molecules. Its unique structure, which includes a trifluoromethyl group and a pyrimidine core, may be exploited to create novel compounds with specific properties and applications in various fields, such as materials science, agrochemistry, and pharmaceuticals.
Check Digit Verification of cas no
The CAS Registry Mumber 306960-67-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,0,6,9,6 and 0 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 306960-67:
(8*3)+(7*0)+(6*6)+(5*9)+(4*6)+(3*0)+(2*6)+(1*7)=148
148 % 10 = 8
So 306960-67-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9F3N2O2/c1-3-16-7(15)6-4-13-8(9(10,11)12)14-5(6)2/h4H,3H2,1-2H3
306960-67-8Relevant articles and documents
Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide].
Palanki,Erdman,Gayo-Fung,Shevlin,Sullivan,Goldman,Ransone,Bennett,Manning,Suto
, p. 3995 - 4004 (2007/10/03)
We investigated the structure-activity relationship studies of N-[3, 5-bis(trifluoromethyl)phenyl][2-chloro-4-(trifluoromethyl)pyrimidin-5 -yl]carboxamide (1), an inhibitor of transcription mediated by both NF-kappaB and AP-1 transcription factors, with the goal of improving its potential oral bioavailability. Compounds were examined for cell-based activity, were fit to Lipinski's rule of 5, and were examined for potential gastrointestinal permeability using the intestinal epithelial cell line, Caco-2. Selected groups were substituted at the 2-, 4-, and 5-positions of the pyrimidine ring using solution-phase combinatorial methodology. The introduction of a fluorine in the place of 2-chlorine of 1 resulted in a compound with comparable activity. However, other substitutions at the 2-position resulted in a loss of activity. The trifluoromethyl group at the 4-position could be replaced with a methyl, ethyl, chlorine, or phenyl without a substantial loss of activity. The carboxamide group at the 5-position is critical for activity. If it was moved to the 6-position, the activity was lost. The 2-methyl analogue of 1 (81) showed comparable in vitro activity and improved Caco-2 permeability compared to 1.
