39221-42-6

Basic information

• Product Name: (1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID
• Synonyms: 2-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETIC ACID;(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID;(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETIC ACID;TIMTEC-BB SBB010845;ISOINDOLIN-1-ONE-2-ACETIC ACID;1,3-Dhydro-1-oxo-2H-isoindole-2-acetic acid;1,3-Dihydro-1-oxo-2H-isoindole-2-aceticacid;2-(1-Oxoisoindolin-2-yl)acetic acid
• CAS NO: 39221-42-6
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18
• Mol File: 39221-42-6.mol
• Article Data: 8

Chemical Properties

• Melting Point: 208-211 °C
• Boiling Point: 439.8 °C at 760 mmHg
• Flash Point: 219.8 °C
• Appearance: /
• Density: 1.382g/cm³
• Vapor Pressure: 1.65E-08mmHg at 25°C
• Refractive Index: 1.617
• Storage Temp.: 2-8°C
• PKA: 3.61±0.10(Predicted)
• CAS DataBase Reference: (1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID(39221-42-6)
• EPA Substance Registry System: (1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID(39221-42-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 39221-42-6(Hazardous Substances Data)

Usage

General Description

The chemical (1-Oxo-1,3-dihydro-isoindol-2-yl)-acetic acid, also known as caroverine, is a compound that belongs to the family of isoindoline derivatives. It is a white to off-white powder with a molecular formula of C11H11NO3 and a molecular weight of 205.21 g/mol. Caroverine is a potent antagonist of N-methyl-D-aspartate (NMDA) receptors, which are involved in the transmission of pain signals in the central nervous system. It has been studied for its potential use in the treatment of neurological disorders, such as tinnitus and vertigo, as well as for its analgesic and neuroprotective properties. Caroverine has also been investigated for its potential use in combination with other drugs to enhance their therapeutic effects.

InChI:InChI=1/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13)

Upstream product

• 96017-03-7 methyl (1-oxo-1,3-dihydro-2H-isoindol-2-yl)acetate 
• 119-67-5 o-carboxybenzaldehyde 
• 52242-36-1 2,2-diethyl-4H-[1,3,2]oxazaborol-5-one 
• 643-79-8 o-phthalic dicarboxaldehyde 
• 2417-73-4 methyl 2-bromomethylbenzoate 
• 623-33-6 glycine ethyl ester hydrochloride 
• 4702-13-0 N-phthaloylglycine 
• 56-40-6 glycine 

Downstream Products

• 1353053-84-5 {6-[4-(1-boc-piperidin-4-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}acetic acid methyl ester 
• 1353054-10-0 {6-[4-(1-boc-piperidin-4-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}acetic acid 
• 1335100-76-9 [1-oxo-6-(4-piperidinium-4-yl-benzoylamino)-1,3-dihydroisoindol-2-yl]acetic acid trifluoroacetate 
• 1430403-45-4 2-{2-[4-(4-[18F]-fluorobenzyl)piperazin-1-yl]-2-oxoethyl}isoindolin-1-one 
• 1430403-62-5 2-{2-[4-(4-fluorobenzyl)piperazin-1-yl]-2-oxoethyl}isoindolin-1-one 
• 1447331-32-9 {6-[4-(4-boc-piperazin-1-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}acetic acid methyl ester 
• 1447330-19-9 [1-oxo-6-(4-piperazinium-1-yl-benzoylamino)-1,3-dihydroisoindol-2-yl]acetic acid trifluoroacetate 
• 1447331-89-6 {6-[4-(4-boc-piperazin-1-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}acetic acid 

Relevant articles and documents

The effect of the structure of derivatives of nitrogen-containing heterocycles on their anti-influenza activity

[Figure not available: see fulltext.] An adequate QSAR model based on the simplex representation of the molecular structure was built in order to optimize the search for new anti-influenza agents. Structural interpretation of the model allowed us to identify molecular fragments that determine the activity of compounds against human influenza viruses. Further virtual screening and targeted synthesis allowed us to select a group of potentially effective compounds, three of which, derivatives of piperidine and isoindoline, turned out to be the most promising.

Synthesis and radiosynthesis of a novel PET fluorobenzyl piperazine for melanoma tumour imaging; [18F]MEL054

2-{2-[4-(4-[18F]-Fluorobenzyl)piperazin-1-yl]-2-oxoethyl}isoindolin-1-one ([18F]MEL054), is a new potent indolinone-based melanin binder designed to target melanotic tumours. [18F]MEL054 was prepared by an automated two-step radiosynthesis, comprising of

RGD mimetics containing phthalimidine fragment as novel ligands of fibrinogen receptor

The novel RGD mimetics with phthalimidine central fragment were synthesized with the use of 4-piperidine-4-yl-butyric, 4-piperidine-4-yl-benzoic, 4-piperazine-4-yl-benzoic and 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acids as surrogates of Arg motif. T