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4631-12-3

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4631-12-3 Usage

Description

N-BENZOYL-ASPARTIC ACID is a chemical compound that belongs to the benzoyl-substituted aspartic acid family. It is commonly used in the field of medicinal chemistry as a building block for the synthesis of various pharmaceuticals. N-BENZOYL-ASPARTIC ACID exhibits potential as an anti-inflammatory agent and has been studied for its potential application in the treatment of conditions such as arthritis and other inflammatory diseases. Furthermore, N-BENZOYL-ASPARTIC ACID has been investigated for its role as a precursor for the synthesis of analogs and derivatives with improved biological activity and pharmacokinetic properties. Overall, this compound shows promise as a valuable tool in drug development and as a potential therapeutic agent for the management of inflammatory disorders.

Uses

Used in Pharmaceutical Industry:
N-BENZOYL-ASPARTIC ACID is used as a building block for the synthesis of various pharmaceuticals due to its versatile chemical properties and potential therapeutic applications.
Used in Anti-Inflammatory Applications:
N-BENZOYL-ASPARTIC ACID is used as an anti-inflammatory agent for the potential treatment of conditions such as arthritis and other inflammatory diseases, offering a promising avenue for managing these disorders.
Used in Drug Development:
N-BENZOYL-ASPARTIC ACID is used as a precursor for the synthesis of analogs and derivatives with improved biological activity and pharmacokinetic properties, contributing to the advancement of drug development in the treatment of inflammatory disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 4631-12-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,6,3 and 1 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 4631-12:
(6*4)+(5*6)+(4*3)+(3*1)+(2*1)+(1*2)=73
73 % 10 = 3
So 4631-12-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)

4631-12-3SDS

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-benzamidobutanedioic acid

1.2 Other means of identification

Product number -
Other names L-Aspartic acid, N-benzoyl-

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:4631-12-3 SDS

4631-12-3Relevant articles and documents

In vivo neurochemical monitoring using benzoyl chloride derivatization and liquid chromatography-mass spectrometry

Song, Peng,Mabrouk, Omar S.,Hershey, Neil D.,Kennedy, Robert T.

experimental part, p. 412 - 419 (2012/03/11)

In vivo neurochemical monitoring using microdialysis sampling is important in neuroscience because it allows correlation of neurotransmission with behavior, disease state, and drug concentrations in the intact brain. A significant limitation of current practice is that different assays are utilized for measuring each class of neurotransmitter. We present a high performance liquid chromatography (HPLC)-tandem mass spectrometry method that utilizes benzoyl chloride for determination of the most common low molecular weight neurotransmitters and metabolites. In this method, 17 analytes were separated in 8 min. The limit of detection was 0.03-0.2 nM for monoamine neurotransmitters, 0.05-11 nM for monoamine metabolites, 2-250 nM for amino acids, 0.5 nM for acetylcholine, 2 nM for histamine, and 25 nM for adenosine at sample volume of 5 μL. Relative standard deviation for repeated analysis at concentrations expected in vivo averaged 7% (n = 3). Commercially available 13C benzoyl chloride was used to generate isotope-labeled internal standards for improved quantification. To demonstrate utility of the method for study of small brain regions, the GABAA receptor antagonist bicuculline (50 μM) was infused into a rat ventral tegmental area while recording neurotransmitter concentration locally and in nucleus accumbens, revealing complex GABAergic control over mesolimbic processes. To demonstrate high temporal resolution monitoring, samples were collected every 60 s while neostigmine, an acetylcholine esterase inhibitor, was infused into the medial prefrontal cortex. This experiment revealed selective positive control of acetylcholine over cortical glutamate.

Reactivity of the Amino Groups of α-Amino Acids and Dipeptides in Reaction with Benzoyl Chloride in a Dioxane-Water Solvent

Kuritsyn, L. V.,Kalinina, N. V.

, p. 767 - 770 (2007/10/02)

The kinetic characteristics (rate constants, activation energies, and entropies of activation) for the reaction of a series of α-amino acids and dipeptides with benzoyl chloride in aqueous dioxane are presented.The amino group in the investigated α-amino acids has high reactivity 4 liter/mole*sec>; the dipeptides have lower reactivity 3 liter/mole*sec>.

Studies on Potential Antibacterial and Chelating Agents: Part I - Synthesis, Physicochemical Properties and Antibacterial Screening of Some Benzimidazoles

Nandi, M. M.,Ray, Ruma

, p. 222 - 224 (2007/10/02)

Six properly substituted benzimidazoles (I-VI) suitable for chelation have been synthesised from benzoylamino acids by condensation with o-phenylenediamine following Phillips and fusion methods.Dissociation constants of the benzoyl derivatives of glycine, (dl)-α-alanine, β-alanine, L-(-)-aspartic acid, L-(+)-glutamic acid and the six protonated benzamidobenzimidazoles (I-VI) in water-dioxane (1:1) at constant ionic strength (μ=0.5) at 20 deg C +/- 0.1 deg C have been determined by potentiometric titration.Structures of I-VI have been established on the basis of their elemental analysis, synthetic route, IR and PMR spectra and pK* values.Some of the compounds show significant antibacterial activity against gram + ve organisms only whereas corresponding sulphonamidobenzimidazoles are active against the gram - ve organism E. coli.

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