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1-Benzyl-5-oxo-3-pyrrolidinecarboxylic acid is a chemical compound with the molecular formula C12H13NO3. It is a derivative of pyrrolidine-3-carboxylic acid, featuring a benzyl group at the 1-position and a carbonyl group at the 5-position. 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLIC ACID is known for its potential applications in the synthesis of various pharmaceuticals and biologically active molecules, particularly in the development of drugs targeting the central nervous system. Its structure allows for further functionalization and modification, making it a valuable intermediate in organic chemistry and medicinal chemistry research.

2168-14-1

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2168-14-1 Usage

Derivative of pyrrolidinecarboxylic acid

It is a modified version of the original pyrrolidinecarboxylic acid, with additional functional groups added to the molecule.

Benzyl group at position 1

A benzyl group (C6H5CH2-) is attached to the first carbon atom of the pyrrolidine ring, which influences the compound's chemical properties and reactivity.

Ketone group at position 5

A ketone group (C=O) is present at the fifth position of the pyrrolidine ring, further modifying the compound's properties and potential reactivity.

Potential applications in pharmaceutical research

Due to its unique structure and properties, 1-benzyl-5-oxo-3-pyrrolidinecarboxylic acid may be useful in the development of new drugs and therapies.

Drug synthesis

The compound could serve as a precursor molecule for the synthesis of novel compounds with pharmacological properties, making it a valuable building block in drug development.

Structural features of interest in medicinal chemistry

The presence of both a benzyl group and a ketone group in the molecule make it an interesting target for further study in the field of medicinal chemistry.

Biological activity

The structure of 1-benzyl-5-oxo-3-pyrrolidinecarboxylic acid suggests that it may exhibit biological activity, which could be relevant for its potential use in drug development.

Target for further investigation

The unique structure and potential applications of 1-benzyl-5-oxo-3-pyrrolidinecarboxylic acid make it an important target for additional research to explore its possible uses in the development of new drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 2168-14-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,6 and 8 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2168-14:
(6*2)+(5*1)+(4*6)+(3*8)+(2*1)+(1*4)=71
71 % 10 = 1
So 2168-14-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H16N2O/c1-3-12(4-2)8-9-10(13)6-5-7-11-9/h5-7,13H,3-4,8H2,1-2H3

2168-14-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-diethylaminomethyl-pyridin-3-ol

1.2 Other means of identification

Product number -
Other names 2-Diethylaminomethyl-3-hydroxy-pyridin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2168-14-1 SDS

2168-14-1Downstream Products

2168-14-1Relevant academic research and scientific papers

HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF

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Page/Page column 49; 50; 54, (2018/09/18)

Disclosed herein are compounds, compositions, and methods for reactivating or realkylating aged acetylcholinesterase inhibited by or conjugated to the organophosphorus compound. The organophosphorus compound can be a nerve agent. The acetylcholinesterase can be in the central nerve system (CNS) and/or the peripheral nervous system (PNS) of a subject. Accordingly, methods for ameliorating, diminishing, reversing, treating or preventing the toxic effects of an organophosphorus compound in a subject are provided herein. Methods for prophylactic or therapeutic treatment of exposure to an organophosphorus nerve agent are also provided.

Demonstration of in Vitro Resurrection of Aged Acetylcholinesterase after Exposure to Organophosphorus Chemical Nerve Agents

Zhuang, Qinggeng,Franjesevic, Andrew J.,Corrigan, Thomas S.,Coldren, William H.,Dicken, Rachel,Sillart, Sydney,Deyong, Ashley,Yoshino, Nathan,Smith, Justin,Fabry, Stephanie,Fitzpatrick, Keegan,Blanton, Travis G.,Joseph, Jojo,Yoder, Ryan J.,McElroy, Craig A.,Ekici, ?zlem Dogan,Callam, Christopher S.,Hadad, Christopher M.

supporting information, p. 7034 - 7042 (2018/06/13)

After the inhibition of acetylcholinesterase (AChE) by organophosphorus (OP) nerve agents, a dealkylation reaction of the phosphylated serine, referred to as aging, can occur. When aged, known reactivators of OP-inhibited AChE are no longer effective. Realkylation of aged AChE may provide a route to reversing aging. We designed and synthesized a library of quinone methide precursors (QMPs) as proposed realkylators of aged AChE. Our lead compound (C8) from an in vitro screen successfully resurrected 32.7 and 20.4% of the activity of methylphosphonate-aged and isopropyl phosphate-aged electric-eel AChE, respectively, after 4 days. C8 displays properties of both resurrection (recovery from the aged to the native state) and reactivation (recovery from the inhibited to the native state). Resurrection of methylphosphonate-aged AChE by C8 was significantly pH-dependent, recovering 21% of activity at 4 mM and pH 9 after only 1 day. C8 is also effective against isopropyl phosphate-aged human AChE.

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