Grundinformationen
- CAS
4394-00-7- Standard-SMILES
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1- InChIKey
JZFPYUNJRRFVQU-UHFFFAOYSA-N- Summenformel
- C13H9F3N2O2
- Durchschnittliche Molmasse
- 282,22 g/mol
- Monoisotopische Masse
- 282,06161219
Überblick
Niflumic acid is a member of pyridines and an aromatic carboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Niflumic Acid
- IUPAC
- 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
- Lokaler Name
- 2-((3-(Trifluormethyl)phenyl)-amino)-3-pyridin-carbonsäure
- Englischer Name
- Niflumic acid
- Summenformel
- C13H9F3N2O2
- Molmasse
- 282.22
Namen und Synonyme
niflumic acid4394-00-7Acido niflumicoAcide niflumiqueNiflugelUP 832-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acidAcidum niflumicumDTXSID10233682-(3-(Trifluoromethyl)anilino)nicotinic acid2-[3-(Trifluoromethyl)anilino]nicotinic acidUP-83
Weitere Namen anzeigen
niflumicNifluminic acidACTOLsc1332ForenolDONALGINNIFLURILLandrumaNiflumate
4U5MP5IUD8NSC-758196DTXCID9033682-(3-[Trifluoromethyl]anilino)nicotinic acidAcid, Niflumic2-((3-(trifluoromethyl)phenyl)amino)pyridine-3-carboxylic acid2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acidRefChem:389149
Datenbank-Bezeichner
- CAS
4394-00-7- PubChem CID
- 4488
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 62,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 349
Experimentelle und physikochemische Eigenschaften
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Drugs
Pharmaceuticals -> NSAIDs
Pharmaceuticals -> Listed in ZINC15
Pharmaceutical
Pharmaceuticals -> Musculo-skeletal system -> Anti-inflammatory and antirheumatic products
LogP4.43
Solubility8.83e-02 g/L
Human DrugsPharmaceuticals
Melting Point203 °C
Physical DescriptionSolid
Collision Cross Section
156.8 Ų [M+H]+ [CCS Type: TW]
159.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (56.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 99 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22710
Other Safety InformationIMAP assessments - 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (56.6%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
NIFLUMIC ACID
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29333999
- RTECS-Nr.
Chemie und Industrie
Pharmakologische Informationen
ATC Code
M02AA17
M - Musculo-skeletal system
M - Musculo-skeletal system
QM - Musculo-skeletal system
QM - Musculo-skeletal system
Protein Binding90% bound to plasma proteins.
PharmacodynamicsNiflumic acid, a nonsteroidal anti-inflammatory fenamate, is a Ca<sup>2+</sup>-activated Cl<sup>-</sup> channel blocker.
Mechanism of ActionNiflumic acid is able to inhibit both phospholipase A2 as well as COX-2, thereby acting as an antiinflamatory and pain reduction agent.
Biological Half-Life2.5 hours
Metabolism/MetabolitesHepatic.
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.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Absorption, Distribution and ExcretionWell absorbed following oral administration.
Cellular LocationsCytoplasm
Zugehörige Reaktionen
7
Notizen zur Verbindung
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