31842-01-0
Product Name:
ALPHA-METHYL-P-[1-OXO-2-ISOINDOLINYL]-BENZENEACETIC ACID
Formula:
C17H15NO3
Synonyms:
α-Methyl-p-(1-oxo-2-isoindolinyl)benzeneacetic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 208-210 |
|---|---|
| Solubility | >42.2 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 166.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. |
COMPUTED DESCRIPTORS
| Molecular Weight | 281.30 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 281.10519334 g/mol |
| Monoisotopic Mass | 281.10519334 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 414 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Indoprofen is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a monocarboxylic acid, a member of isoindoles and a gamma-lactam. It is functionally related to a propionic acid.