Pranoprofen
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Grundinformationen
- CAS
52549-17-4- Standard-SMILES
CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2- InChIKey
TVQZAMVBTVNYLA-UHFFFAOYSA-N- Summenformel
- C15H13NO3
- Durchschnittliche Molmasse
- 255,27 g/mol
- Monoisotopische Masse
- 255,08954328
Überblick
Pranoprofen is a pyridochromene.
Namen und Bezeichner
- Bevorzugter Name
- Pranoprofen
- IUPAC
- 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
- Englischer Name
- Pranoprofen
- Summenformel
- C15H13NO3
- Molmasse
- 255.27
Namen und Synonyme
pranoprofen52549-17-4pyranoprofenPranoprofenoPranoprofenePranoprofenumElicapricDTXSID1023497NSC-7598322R7O1ET613DTXCID603497alpha-Methyl-5H-(1)benzopyrano(2,3-b)pyridine-7-acetic acid
Weitere Namen anzeigen
Y 8004CesflanOftalarPralofenPraprofenranoprofen
(+-)-PranoprofenRefChem:868380S01BC09(2RS)-2-(10H-9-Oxa-1-azaanthracen-6-yl)propanoic acidNiflan2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acidY-80042-(5H-[1]-Benzopyrano[2,3-b]pyridin-7-yl)propionic Acid
Datenbank-Bezeichner
- CAS
52549-17-4- PubChem CID
- 4888
- DTXSID
DTXSID1023497- ChEMBL
CHEMBL367463- ChEBI
CHEBI:32040- UNII
- 2R7O1ET613
- EC Number
- 682-035-7
- Nikkaji
- J9.293B
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 59,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 346
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 · 182-183°
- Siedepunkt
- 398.5 °C · 398.5°C (rough estimate)
- Dichte
- 1.1654 · 1.1654 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 4.27 · 4.27±0.10(Predicted)
- Aggregatzustand
- powder
- Farbe
- white to beige
- InChI
- InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
- InChIKey
- TVQZAMVBTVNYLA-UHFFFAOYSA-N
- SMILES
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Pranoprofen
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Sicherheitsdaten
- wgk
- WGK 1
- ridadr
- UN 2811 6.1 / PGIII
- RTECS-Nr.
- DJ3100950
- Toxizität
- LD50 in male mice, rats (mg/kg): 447.3, 87.3 orally (Edanaga)
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
ATC Code
S01BC09
S - Sensory organs
QS - Sensory organs
Mechanism of ActionPranoprofen is a cyclo-oxygenase inhibitor.
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.
Agents that increase uric acid excretion by the kidney (URICOSURIC AGENTS), decrease uric acid production (antihyperuricemics), or alleviate the pain and inflammation of acute attacks of gout.
Cellular LocationsMembrane
Anwendungen
VerwendenPranoprofen is an anti-inflammatory used in ophthalmology.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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