255823-06-4

Basic information

• Product Name: 1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-
• Synonyms: 1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-;(3R,4R)-3-Amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylic acid phenylmethyl ester;(3S,4S)-benzyl 3-aMino-4-(hydroxyMethyl)pyrrolidine-1-carboxylate (S)-2-hydroxy-2-phenylacetate
• CAS NO: 255823-06-4
• Molecular Formula: C13H18N2O3
• Molecular Weight: 250.296
• Mol File: 255823-06-4.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 414.3±40.0 °C(Predicted)
• Appearance: /
• Density: 1.225
• PKA: 14.93±0.10(Predicted)
• CAS DataBase Reference: 1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-(255823-06-4)
• EPA Substance Registry System: 1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-(255823-06-4)

Safety Data

• Hazardous Substances Data: 255823-06-4(Hazardous Substances Data)

Usage

General Description

The chemical "1-Pyrrolidinecarboxylic acid, 3-amino-4-(hydroxymethyl)-, phenylmethyl ester, (3R,4R)-" is an organic compound with the molecular formula C14H19NO3. It is a phenylmethyl ester derivative of 3-amino-4-hydroxymethyl-pyrrolidine-1-carboxylic acid, with a specific stereoisomeric configuration. 1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)- may have potential applications in drug discovery and development, particularly in the field of medicinal chemistry and pharmaceutical research. The specific stereoisomeric configuration of this compound could influence its biochemical and pharmaceutical properties, making it a potentially important molecule for further study and exploration.

Upstream product

• 370880-76-5 benzyl N-[2-(hydroxyimino)ethyl]-N-(prop-2-en-1-yl)carbamate 
• 370880-75-4 benzyl N-(2-oxoethyl)-N-(prop-2-en-1-yl)carbamate 
• 569682-60-6 benzyl N-(2,2-dimethoxyethyl)-N-(prop-2-en-1-yl)carbamate 
• 114790-39-5 benzyl N-(2,2-dimethoxyethyl)carbamate 
• 501-53-1 benzyl chloroformate 
• 1463484-39-0 benzyl 3,3a,4,6-tetrahydropyrrolo[3,4-c]isoxazole-5-carboxylate 
• 252770-09-5 (±) benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate 
• 497-19-8 sodium carbonate 
• 7440-66-6 zinc 

Downstream Products

• 246510-70-3 benzyl (3S,4S)-3-tert-butoxycarbonylamino-4-methylsulfonyloxymethyl-pyrrolidine-1-carboxylate 
• 799279-84-8 (1R,5S)-3-benzyl 6-tert-butyl 3,6-diazabicyclo[3.2.0]heptane-3,6-dicarboxylate 
• 799279-83-7 benzyl (3S,4S)-3-(amino)-4-{[(methylsulfonyl)oxy]methyl}-1-pyrrolidinecarboxylate trifluoroacetate 

Relevant articles and documents

OXALAMIDO-SUBSTITUTED TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS

The present invention relates to compounds that are inhibitors of hepatitis B virus (HBV). Compounds of this invention are useful alone or in combination with other agents for treating, ameliorating, preventing or curing HBV infection and related conditions. The present invention also relates to pharmaceutical compositions containing said compounds.

FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS

Certain disubstituted 3,8-diaza-bicyclo[4.2.0]octane and 3,6-diazabicyclo [3.2.0]heptane are described, which are useful as orexin inhibitors. Such compounds may be useful in pharmaceutical compositions and methods for the treatment of diseased states, disorders, and conditions mediated by orexin activity, such as insomnia.

Synthesis and structure-activity relationship studies of 3,6-diazabicyclo[3.2.0]heptanes as novel α4β2 nicotinic acetylcholine receptor selective agonists

A series of novel, potent neuronal nicotinic acetylcholine receptor (nAChR) ligands derived from 3,6-diazabicyclo[3.2.0]heptane have been synthesized and evaluated for binding affinity and agonist activity at the α4β2 nAChR subtype. Structure-activity relationship studies of these novel nAChR ligands focused on substitution effects on the pyridine ring, as well as stereo- and regiochemical influences of the 3,6-diazabicyclo[3.2.0]heptane core. Small 5-substituents on the pyridine ring had a modest impact on the binding affinities and functional activities. 6-Bromo, 6-chloro, and 6-methyl substituents on the pyridine ring led to increased binding affinities and improved functional activities. Most of the 6-N-pyridinyl-substituted 3,6-diazabicyclo[3.2.0]heptanes are selective for the α4β2 nAChR subtype. Compounds (1R,5S)-25, (1R,5S)-55, and (1R,5S)-56 were virtually inactive as agonists at the hα3β4 nAChR but retained potency and efficacy at the hα4β2 nAChR subtype. 3-N-Pyridinyl-substituted series demonstrated more complex SAR. (1R,5R)-39, (1R,5R)-41, and (1R,5R)-42 were found to be much more potent at the hα3β4 nAChR subtype, whereas (1R,5R)-38 and (1R,5R)-40 were very selective at the hα4β2 nAChR subtype. The SAR studies of these novel ligands led to the discovery of several compounds with interesting in vitro pharmacological profiles.