345915-10-8

Basic information

• Product Name: N-[2-[2-(4-fluorophenyl)ethyl]-5-[[[(2S,4S)-4-[(3-pyridinylcarbonyl)thio]-2-pyrrolidinyl]methyl]amino]benzoyl]-L-Methionine 1-methylethyl ester
• Synonyms: N-[2-[2-(4-fluorophenyl)ethyl]-5-[[[(2S,4S)-4-[(3-pyridinylcarbonyl)thio]-2-pyrrolidinyl]methyl]amino]benzoyl]-L-Methionine 1-methylethyl ester;AZD3409;HKGUHEGKBLYKHY-QMOZSOIISA-N
• CAS NO: 345915-10-8
• Molecular Formula: C₃₄H₄₁FN₄O₄S₂
• Molecular Weight: 652.852
• Mol File: 345915-10-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 783.8±60.0 °C(Predicted)
• Appearance: /
• Density: 1.27±0.1 g/cm3(Predicted)
• PKA: 13.54±0.46(Predicted)
• CAS DataBase Reference: N-[2-[2-(4-fluorophenyl)ethyl]-5-[[[(2S,4S)-4-[(3-pyridinylcarbonyl)thio]-2-pyrrolidinyl]methyl]amino]benzoyl]-L-Methionine 1-methylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-[2-[2-(4-fluorophenyl)ethyl]-5-[[[(2S,4S)-4-[(3-pyridinylcarbonyl)thio]-2-pyrrolidinyl]methyl]amino]benzoyl]-L-Methionine 1-methylethyl ester(345915-10-8)
• EPA Substance Registry System: N-[2-[2-(4-fluorophenyl)ethyl]-5-[[[(2S,4S)-4-[(3-pyridinylcarbonyl)thio]-2-pyrrolidinyl]methyl]amino]benzoyl]-L-Methionine 1-methylethyl ester(345915-10-8)

Safety Data

• Hazardous Substances Data: 345915-10-8(Hazardous Substances Data)

Usage

General Description

N-[2-[2-(4-fluorophenyl)ethyl]-5-[[[(2S,4S)-4-[(3-pyridinylcarbonyl)thio]-2-pyrrolidinyl]methyl]amino]benzoyl]-L-Methionine 1-methylethyl ester is a complex chemical compound that contains a benzoyl-L-Methionine core and features a fluorophenyl group, a pyrrolidinylmethylamino group, and a pyridinylcarbonylthio group, among others. It is a member of the class of amino acid esters and is commonly used in pharmaceutical research and development. Its precise chemical structure and composition make it suitable for specific pharmacological and medicinal applications, and it may be used in the synthesis of various therapeutic compounds and drug candidates.

Upstream product

• 345915-09-5 isopropyl N-{5-({[(2S,4S)-1-(tert-butoxycarbonyl)-4-(pyridin-3-ylcarbonyl)thiopyrrolidin-2-yl]methyl}amino)-2-[2-(4-fluorophenyl)ethyl]benzoyl}-L-methioninate 
• 67-63-0 isopropyl alcohol 
• 6307-82-0 2-chloro-5-nitro-benzoic acid methyl ester 
• 405-99-2 para-fluorostyrene 
• 203855-07-6 methyl 5-amino-2-[2-(4-fluorophenyl)ethyl benzoate] 
• 59-67-6 nicotinic acid 
• 59846-45-6 nicotinoyl imidazolide 
• 13726-69-7 (2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid 
• 143775-30-8 (2S,4R)-1-(tert-butoxycarbonyl)-4-hydroxy-N-methoxy-N-methylprolinamide 
• 239064-77-8 O-mesyl-N-(tert-butoxycarbonyl)-hydroxyproline dimethylhydroxamide 
• 176486-58-1 [S-(R*,R*)]-2-[(N-Methoxy-N-methyl-amino)carbonyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid, 1,1-dimethyl ethyl ester 

Relevant articles and documents

Kinetics and mechanism of N-Boc cleavage: Evidence of a second-order dependence upon acid concentration

The kinetics of the HCl-catalyzed deprotection of the Boc-protected amine, thioester 2 to liberate AZD3409 1 have been studied in a mixture of toluene and propan-2-ol. The reaction rate was found to exhibit a second-order dependence upon the HCl concentration. This behavior was found to have a degree of generality as the deprotection of a second Boc-protected amine, tosylate 3 to yield amine 4 using HCl, sulfuric acid, and methane sulfonic acid showed the same kinetic dependence. In contrast the deprotection of tosylate 3 with trifluoroacetic acid required a large excess of acid to obtain a reasonable rate of reaction and showed an inverse kinetic dependence upon the trifluoroacetate concentration. These observations are rationalized mechanistically in terms of a general acid-catalyzed separation of a reversibly formed ion-molecule pair arising from the fragmentation of the protonated tert-butyl carbamate.