111247-60-0

Basic information

• Product Name: 1-PYRIMIDIN-2-YL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
• Synonyms: 4-Piperidinecarboxylic acid, 1-(2-pyriMidinyl)-, ethyl ester;1-PYRIMIDIN-2-YL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER;BUTTPARK 90\06-42;1-Pyrimidin-2-yl-piperidine-4-carboxylicacidethylester95%;ETHYL1-PYRIMIDIN-2-YLPIPERIDINE-4-CARBOXYLATE;1-PYRIMIDIN-2-YL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER 95%
• CAS NO: 111247-60-0
• Molecular Formula: C12H17N3O2
• Molecular Weight: 235.28
• Product Categories: Esters;Pyrans, Piperidines &Piperazines;Pyrans, Piperidines & Piperazines
• Mol File: 111247-60-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 373.4 °C at 760 mmHg
• Flash Point: 179.6 °C
• Appearance: /
• Density: 1.163 g/cm³
• Vapor Pressure: 8.98E-06mmHg at 25°C
• Refractive Index: 1.533
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 5.04±0.33(Predicted)
• CAS DataBase Reference: 1-PYRIMIDIN-2-YL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PYRIMIDIN-2-YL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER(111247-60-0)
• EPA Substance Registry System: 1-PYRIMIDIN-2-YL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER(111247-60-0)

Safety Data

• Hazardous Substances Data: 111247-60-0(Hazardous Substances Data)

Usage

General Description

1-Pyrimidin-2-yl-piperidine-4-carboxylic acid ethyl ester is a chemical compound with the molecular formula C14H19N3O2. It is an ethyl ester derived from a piperidine carboxylic acid and contains a pyrimidine ring. 1-PYRIMIDIN-2-YL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER has potential application in the field of pharmaceuticals and medicinal chemistry due to its diverse pharmacological properties. It may be used as an intermediate in the synthesis of various drugs or as a research tool in the study of biological systems. Its specific properties and potential uses may vary depending on the context and intended application.

InChI:InChI=1/C12H17N3O2/c1-2-17-11(16)10-4-8-15(9-5-10)12-13-6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3

Upstream product

• 1722-12-9 2-chloropyrimidine 
• 1126-09-6 4-carbethoxypiperidine 

Downstream Products

• 303144-44-7 1-(pyrimidin-2-yl)piperidine-4-carboxylic acid 

Relevant articles and documents

Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity

The design and synthesis of a new class of nonpeptide direct thrombin inhibitors, built on the structure of 1-(pyridin-4-yl)piperidine-4-carboxamide, are described. Starting from a strongly basic 1-amidinopiperidine derivative (6) showing poor thrombin (fIIa) and factor Xa (fXa) inhibition activities, anti-fIIa activity and artificial membrane permeability were considerably improved by optimizing the basic P1 and the X-substituted phenyl P4 binding moieties. Structure-activity relationship studies, usefully complemented with molecular modeling results, led us to identify compound 13b, which showed excellent fIIa inhibition (Ki = 6 nM), weak anti-Xa activity (K i = 5.64 μM), and remarkable selectivity over other serine proteases (e.g., trypsin). Compound 13b showed in vitro anticoagulant activity in the low micromolar range and significant membrane permeability. In mice (ex vivo), 13b demonstrated anticoagulant effects at 2 h after oral dosing (100 mg·kg-1), with a significant 43% prolongation of the activated partial thromboplastin time (aPTT), over controls (P 0.05).

Synthesis and pharmacological evaluation of a new class of 2-oxo-8- azaspiro (4,5)decan-1-ones as analogues of the muscarinic agonist RS-86

A new series of 8-substituted-2-oxo-8-azapsiro (4,5)decan-1-ones has been synthesized and compounds tested for their cholinergic properties in comparison with the muscarinic agonist RS-86. Preliminary in vitro and in vivo pharmacological data indicate that none of them is provided with significant cholinergic effects either at central or peripheral level. A possible explanation for the lack of activity is given on the basis of conformational studies.