Compound: indoprofen
SMILES: O=C1N(c2ccc(C(C(=O)O)C)cc2)Cc3c1cccc3
InChIKey: RJMIEHBSYVWVIN-UHFFFAOYSA-N
Synonyms: indoprofen, 31842-01-0, Isindone, Reumofene, Flosin, Flosint, Indoprofene, Indoprofeno, Praxis, Bor-ind, Indoprofenum, K 4277, 2-(4-(1-Carboxyethyl)phenyl)-1-isoindolinone, p-(1-Oxo-2-isoindolinyl)hydratropic acid, CPE46ZU14N, K-4277, NSC-757065, DTXSID5045831, 1-Oxo-2-(p-((alpha-methyl)carboxymethyl)phenyl)isoindoline, 4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methylbenzeneacetic acid, DTXCID3025831, CHEBI:76162, Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methyl-, 2-[4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid, 2-(4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl)propanoic acid, RefChem:389062, M01AE10, 250-833-0, 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid, MFCD00057144, 2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoic acid, CHEMBL15870, MLS000069761, ALPHA-METHYL-P-[1-OXO-2-ISOINDOLINYL]-BENZENEACETIC ACID, 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid, (+/-)-Indoprofe, NCGC00094700-01, SMR000058710, 2-[4-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)phenyl]propanoic acid, alpha-Methyl-p-(1-oxo-2-isoindolinyl)benzeneacetic acid, 4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-.alpha.-methylbenzeneacetic acid, Indoprofene [INN-French], Indoprofenum [INN-Latin], Indoprofeno [INN-Spanish], SR-01000712384, 2-[4-(1-oxo-2-isoindolinyl)phenyl]propionic acid, EINECS 250-833-0, UNII-CPE46ZU14N, 2-(4-(1-OXO-2-ISOINDOLINYL)PHENYL)PROPIONIC ACID, 4-(1-Oxo-2-isoindolinyl)hydratropasaeure, indoprofen o, Indoprofen [USAN:INN:BAN], ()-Indoprofe, 2-(4-(1-Oxo-2-isoindolinyl)phenyl)propionsaeure, CAS-31842-01-0, Prestwick_1001, Propionic acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, Indoprofen (Standard), alpha-(4-(1-Oxo-2-iso-indolinyl)-phenyl)-propionic acid, Propionic acid, alpha-(4-(1-oxo-2-isoindolinyl)phenyl)-, Spectrum_000941, INDOPROFEN [MI], Opera_ID_630, INDOPROFEN [INN], Indoprofen (USAN/INN), Prestwick0_000836, Prestwick1_000836, Prestwick2_000836, Prestwick3_000836, Spectrum2_000785, Spectrum3_000469, Spectrum4_000019, Spectrum5_000870, INDOPROFEN [USAN], Hydratropic acid, p-(1-oxo-2-isoindolinyl)-, cid_3718, INDOPROFEN [MART.], INDOPROFEN [WHO-DD], SCHEMBL25137, BSPBio_000791, BSPBio_002178, KBioGR_000397, KBioSS_001421, MLS001146951, MLS001333195, MLS001333196, DivK1c_000401, SPECTRUM1500351, SPBio_000890, SPBio_002712, Indoprofen, analytical standard, BPBio1_000871, orb1310725, orb3025450, SCHEMBL29361927, HMS501E03, HY-B1104R, KBio1_000401, KBio2_001421, KBio2_003989, KBio2_006557, KBio3_001398, MSK8009, NINDS_000401, HMS1570H13, HMS1920H03, HMS2091N11, HMS2097H13, HMS2230L16, HMS3714H13, Pharmakon1600-01500351, HY-B1104, RYB52474, MSK8009-1000AW, Tox21_111316, BDBM50233673, CCG-40163, MSK8009-100A, NSC757065, s2272, (+-)-4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methylbenzeneacetic acid, AKOS015900986, Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-.alpha.-methyl-, AC89964, CS-4695, DB08951, FI24587, NSC 757065, Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methyl-, (+-)-, IDI1_000401, NCGC00094700-02, NCGC00094700-03, NCGC00094700-04, BS-16916, SY467835, SBI-0051416.P003, DB-048119, AB00052023, NS00007205, ST51015025, VU0243102-4, D04530, D81783, Indoprofen Solution in Acetonitrile, 100ug/mL, AB00052023_15, F237708, 2-[4-(1-Oxo -2-isoindolinyl)phenyl]propanoic acid, Q3798358, SR-01000712384-2, SR-01000712384-3, alpha-(4-(1-Oxo-2-isoindolinyl)phenyl)propionic acid, alpha-[p-(1-oxo-2-isoindolinyl)phenyl]propionic acid, BRD-A44090213-001-05-8, BRD-A44090213-001-15-7, BRD-A44090213-001-25-6, Indoprofen Solution in Acetonitrile/Water, 1000ug/mL, (+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid, alpha-[p-(1-oxo-2-isoindolinyl) phenyl]propionic acid, 2-[4-(1-Oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionic acid, 4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-a-methylbenzeneacetic acid, 1-OXO-2-(P-((.ALPHA.-METHYL)CARBOXYMETHYL)PHENYL)ISOINDOLINE, 1-Oxo-2-(p-((alpha-methyl)carboxymethyl)phenyl)isoindoline;4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-alpha-methylbenzeneaceticacid
Theoretical properties:
molecular_formula: C17H15NO3
molecular_weight: 281.30 g/mol
exact_mass: 281.10519334 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 21
topological_polar_surface_area: 57.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 208-210
solubility: >42.2 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: 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 member of isoindoles, a monocarboxylic acid and a gamma-lactam. It is functionally related to a propionic acid.
chebi: 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.
chembl: INDOPROFEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Indoprofen is a nonsteroidal anti-inflammatory drug (NSAID). It was withdrawn worldwide in the 1980s after postmarketing reports of severe gastrointestinal bleeding.
A 2004 study using high-throughput screening found indoprofen to increase production of the survival of motor neuron protein, suggesting it may provide insight into treatments for spinal muscular atrophies.