778646-95-0

Basic information

• Product Name: 4-AMINO-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER
• Synonyms: 4-AMINO-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER;(2R,4R)-4-amino-1,2-Piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester;1-tert-Butyl 2-methyl (2R,4R)-4-Aminopiperidine-1,2-dicarboxylate
• CAS NO: 778646-95-0
• Molecular Formula: C₁₂H₂₂N₂O₄
• Molecular Weight: 258.31
• Mol File: 778646-95-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 338.3±42.0 °C(Predicted)
• Appearance: /
• Density: 1.123±0.06 g/cm3(Predicted)
• PKA: 9.66±0.40(Predicted)
• CAS DataBase Reference: 4-AMINO-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER(778646-95-0)
• EPA Substance Registry System: 4-AMINO-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER(778646-95-0)

Safety Data

• Hazardous Substances Data: 778646-95-0(Hazardous Substances Data)

Usage

General Description

4-AMINO-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER is a chemical compound that consists of a piperidine ring with an amino group and two carboxylic acid groups. The compound also has a tert-butyl ester and a methyl ester group attached to the carboxylic acid groups. It is commonly used as a building block in organic synthesis and can be found in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. The compound has a variety of uses due to its versatile structure and reactivity in chemical reactions.

Upstream product

• 321744-26-7 N-Boc-4-hydroxy-2-piperidine carboxylic acid methyl ester 
• 405229-64-3 (2R,4S)-1-tert-butyl 2-methyl 4-(methylsulfonyloxy)piperidine-1,2-dicarboxylate 
• 1095173-08-2 (2R,4R)-1-tert-butyl 2-methyl 4-azidopiperidine-1,2-dicarboxylate 

Downstream Products

• 1095173-19-5 (2R,4R)-1-tert-butyl 2-methyl 4-(3-(4-cyanophenyl)ureido)piperidine-1,2-dicarboxylate 
• 1352568-39-8 (2R,4R)-tert-butyl 2-((2-aminophenyl)carbamoyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)piperidine-1-carboxylate 
• 1352568-41-2 C₁₉H₂₆N₂O₆ 
• 1352568-42-3 C₂₅H₃₂N₄O₅ 
• 1352568-43-4 C₂₁H₂₄N₄O₂ 
• 1095173-20-8 (2R,4R)-1-(tert-butoxycarbonyl)-4-(3-(4-cyanophenyl)ureido)piperidine-2-carboxylic acid 
• 1095173-26-4 (2R,4R)-tert-butyl 2-((2-aminophenyl)carbamoyl)-4-(3-(4-cyanophenyl)ureido)piperidine-1-carboxylate 
• 1095173-27-5 1-((2R,4R)-2-(1H-benzo[d]imidazol-2-yl)-1-methylpiperidin-4-yl)-3-(4-cyanophenyl)urea 
• 1352568-40-1 C₂₀H₂₈N₂O₆ 

Relevant articles and documents

Discovery of PF-04449913, a potent and orally bioavailable inhibitor of smoothened

Inhibitors of the Hedgehog signaling pathway have generated a great deal of interest in the oncology area due to the mounting evidence of their potential to provide promising therapeutic options for patients. Herein, we describe the discovery strategy to overcome the issues inherent in lead structure 1 that resulted in the identification of Smoothened inhibitor 1-((2R,4R)-2-(1H-benzo[d] imidazol-2-yl)-1-methylpiperidin-4-yl)-3-(4-cyanophenyl)urea (PF-04449913, 26), which has been advanced to human clinical studies.