Basic information
- CAS
39718-89-3- Standard SMILES
C=C(C)CNc1ccc(C(C)C(=O)O)cc1- InChIKey
FPHLBGOJWPEVME-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Overview
Alminoprofen is a substituted aniline that is ibuprofen in which the isobutyl group is replaced by a (2-methylprop-2-en-1-yl)amino group. A non-steroidal anti-inflammatory drug, it is used for treatment of inflammatory and rheumatic disorders. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an antirheumatic drug, an EC 3.1.1.4 (phospholipase A2) inhibitor, a cyclooxygenase 2 inhibitor and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a monocarboxylic acid, an amino acid, a substituted aniline and a secondary amino compound.
Names & identifiers
- Preferred name
- Alminoprofen
- IUPAC
- 2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
- English name
- alminoprofen
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
alminoprofen39718-89-3AlminoprofeneAlminoprofenoAlminoprofenumMinalfenEB 382EB-382p-((2-Methylallyl)amino)hydratropic acidBRN 23736332-(4-((2-Methylallyl)amino)phenyl)propansaeure0255AHR9GJ
Show more names
Minalfenerac AlMinoprofenalminoprofen USP/EP/BPALMINOPROFEN(FORR&DONLY)Alminoprofene [inn-french]
Benzeneacetic acid, alpha-methyl-4-((2-methyl-2-propenyl)amino)-Acide (methallylamino-4 phenyl)-2 propionique2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propanoic acidalpha-Methyl-4-((2-methyl-2-propenyl)amino)benzeneacetic acidCHEBI:31190alpha-methyl-4-[(2-methyl-2-propenyl)amino]benzeneacetic acid2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propionic acid2-(4-((2-methylprop-2-en-1-yl)amino)phenyl)propanoic acid
Database identifiers
- CAS
39718-89-3- PubChem CID
- 2097
- DTXSID
DTXSID90865968- ChEMBL
CHEMBL1765293- ChEBI
CHEBI:31190
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 107 ° · 107°
- Boiling point
- 360.1 °C · 360.1°C (rough estimate)
- Density
- 1.0697 · 1.0697 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.86 · 4.86±0.50(Predicted)
- color
- Light Brown
- FDA UNII
- 255 AHR9GJ · 0255AHR9GJ
- ATC code
- 1 AE16 · M01AE16
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Toxicity
- 50 orally · LD50 orally in mice: 2400 mg/kg (Dumaitre)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Toxicity
- LD50 orally in mice: 2400 mg/kg (Dumaitre)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
DescriptionAlminoprofen is an arylpropionic acid analgesic/antiinflammatory agent indicated for the short term management of dental, traumatic and postpartum pain.
UsesAlminoprofen is a nonsteroidal antiinflammatory drugs (NSAID) of the phenylpropionic acid class. Alminoprofen maybe a useful therapeutic option in the management of immune dysfunction in rheumatoid ar thritis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers46 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…