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188781-46-6

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188781-46-6 Usage

General Description

2,4-Bis(trifluoromethyl)pyrimidine-5-carboxylic acid, also known as BTCPA, is a chemical compound that belongs to the class of pyrimidine carboxylic acids. It is characterized by its molecular structure, which consists of a pyrimidine ring with two trifluoromethyl groups attached to the 2 and 4 positions and a carboxylic acid group at the 5 position. 2,4-BIS(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID is commonly used as a building block in the synthesis of various pharmaceuticals and agricultural chemicals. Its unique chemical properties make it a valuable intermediate in the production of a wide range of organic compounds for industrial and research purposes. Additionally, its highly electron-withdrawing trifluoromethyl groups and carboxylic acid functionality make it a potent pharmacophore for drug design and development.

Check Digit Verification of cas no

The CAS Registry Mumber 188781-46-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,8,7,8 and 1 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 188781-46:
(8*1)+(7*8)+(6*8)+(5*7)+(4*8)+(3*1)+(2*4)+(1*6)=196
196 % 10 = 6
So 188781-46-6 is a valid CAS Registry Number.

188781-46-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylic acid

1.2 Other means of identification

Product number -
Other names 2,4-bis (trifluoromethyl)-pyrimidine-5-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:188781-46-6 SDS

188781-46-6Downstream Products

188781-46-6Relevant 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.

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