325457-86-1

Basic information

• Product Name: tert-butyl (6-(trifluoromethyl)pyridin-3-yl)carbamate
• Synonyms: tert-butyl (6-(trifluoromethyl)pyridin-3-yl)carbamate;(6-Trifluoromethyl-pyridin-3-yl)-carbamic acid tert-butyl ester
• CAS NO: 325457-86-1
• Molecular Formula: C₁₁H₁₃F₃N₂O₂
• Molecular Weight: 262
• EINECS: -0
• Mol File: 325457-86-1.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: tert-butyl (6-(trifluoromethyl)pyridin-3-yl)carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl (6-(trifluoromethyl)pyridin-3-yl)carbamate(325457-86-1)
• EPA Substance Registry System: tert-butyl (6-(trifluoromethyl)pyridin-3-yl)carbamate(325457-86-1)

Safety Data

• Hazardous Substances Data: 325457-86-1(Hazardous Substances Data)

Upstream product

• 75-65-0 tert-butyl alcohol 
• 231291-22-8 6-trifluoromethylnicotinic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 106877-33-2 6-(trifluoromethyl)pyridin-3-amine 

Downstream Products

• 1256810-65-7 4-iodo-6-(trifluoromethyl)pyridin-3-amine 

Relevant articles and documents

Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase

We pursued a structure-guided approach toward the development of improved dihydroorotate dehydrogenase (DHODH) inhibitors with the goal of forming new interactions between DHODH and the brequinar class of inhibitors. Two potential residues, T63 and Y356, suitable for novel H-bonding interactions, were identified in the brequinar-binding pocket. Analogues were designed to maintain the essential pharmacophore and form new electrostatic interactions through strategically positioned H-bond accepting groups. This effort led to the discovery of potent quinoline-based analogues 41 (DHODH IC50 = 9.71 ± 1.4 nM) and 43 (DHODH IC50 = 26.2 ± 1.8 nM). A cocrystal structure between 43 and DHODH depicts a novel water mediated H-bond interaction with T63. Additional optimization led to the 1,7-naphthyridine 46 (DHODH IC50 = 28.3 ± 3.3 nM) that forms a novel H-bond with Y356. Importantly, compound 41 possesses significant oral bioavailability (F = 56%) and an elimination t1/2 = 2.78 h (PO dosing). In conclusion, the data supports further preclinical studies of our lead compounds toward selection of a candidate for early-stage clinical development.

Novel Benzoic Pyrrolopyridine Derivatives

The present invention relates to compounds of formula: in which A, Cy, R1, R2, R3, R4, R5, R6, R7 and R8 are as defined in the description. The compounds of the invention are modulators of the NURR-1 nuclear receptors.

1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO

Compounds of Formula (IA), IB), IC), and (ID) wherein R1, R2, R3, R4, R5, and R6 are as respectively defined herein for Formula (IA), (IB), (IC), and (ID), or a tautomer, prodrug, solvate, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.