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Nepafenac - 10mM in DMSO, high purity , CAS No.78281-72-8, Cyclooxygenase inhibitor
Basic Description
Synonyms
2-[2-amino-3-(benzoyl)phenyl]acetamide | DB06802 | Nevanac | S01BC10 | 3-Pyridinecarboxylic acid,2,5,6-tetrahydro-1-methyl- | NEPAFENAC (MART.) | Nepafenac [USAN] | EINECS 249-850-6 | Nepafenac (JAN/USAN/INN) | MFCD00020384 | NSC403248 | STL451069 | FT-06
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
Nepafenac is a NSAID (nonsteroidal anti inflammatory drug) that is routinely used in opthamology to control pain following cataract surgery. Nepafenac is a selective COX-2 inhibitor. Nepafenac is prodrug of Amfenac.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Cyclooxygenase inhibitor
Product Description
An analgesic selective inhibitor of COX-2
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzophenones
Intermediate Tree Nodes
Not available
Direct Parent
Benzophenones
Alternative Parents
Diphenylmethanes Aryl-phenylketones Phenylacetamides Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzophenone - Aryl-phenylketone - Diphenylmethane - Phenylacetamide - Benzoyl - Aniline or substituted anilines - Aryl ketone - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Ketone - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
External Descriptors
monocarboxylic acid amide
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-(2-amino-3-benzoylphenyl)acetamide
INCHI
InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)
InChIKey
QEFAQIPZVLVERP-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N
Isomeric SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N
WGK Germany
3
Molecular Weight
254.28
Reaxy-Rn
4256257
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4256257&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat sensitive
Melt Point(°C)
184 °C
Molecular Weight
254.280 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
254.106 Da
Monoisotopic Mass
254.106 Da
Topological Polar Surface Area
86.200 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
337.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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