Enpatoran
Grundinformationen
- CAS
2101938-42-3- Standard-SMILES
N#Cc1ccc(N2C[C@H](N)C[C@H](C(F)(F)F)C2)c2cccnc12- InChIKey
BJXYHBKEQFQVES-NWDGAFQWSA-N- Summenformel
- C16H15F3N4
- Durchschnittliche Molmasse
- 320,31 g/mol
- Monoisotopische Masse
- 320,12488098
Überblick
Enpatoran (M5049) was under investigation in clinical trials for various conditions. It was investigated for systemic lupus erythematosus and cutaneous lupus erythematosus in completed trials (NCT04647708 and NCT05162586) and in a recruiting trial (NCT05540327). Additionally, M5049 was studied for COVID-19 pneumonia in a completed trial with results (NCT04448756) and is currently being recruited for a trial involving participants with dermatomyositis and polymyositis (NCT05650567).
Namen und Bezeichner
- Bevorzugter Name
- Enpatoran
- IUPAC
- 5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
- Englischer Name
- 8-Quinolinecarbonitrile, 5-[(3R,5S)-3-amino-5-(trifluoromethyl)-1-piperidinyl]-
- Summenformel
- C16H15F3N4
- Molmasse
- 320.31
Namen und Synonyme
Enpatoran2101938-42-3M5049Enpatoran [USAN]Enpatoran [INN]UNII-7CZ390V26X5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile7CZ390V26XM-50495-((3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl)quinoline-8-carbonitrileENPATORAN [WHO-DD]8-Quinolinecarbonitrile, 5-((3R,5S)-3-amino-5-(trifluoromethyl)-1-piperidinyl)-
Weitere Namen anzeigen
Enpatoran/ M5049Enpatoran, 10 mM in DMSO5-[(3R,5S)-3-Amino-5-(trifluoromethyl)-1-piperidyl]quinoline-8-carbonitrile8-Quinolinecarbonitrile, 5-[(3R,5S)-3-amino-5-(trifluoromethyl)-1-piperidinyl]-inhibit,M5049,Inhibitor,Toll-like Receptor (TLR),M-5049,autoimmunity,M 5049,TLR7/8,selective,Enpatoran
5-((3R,5S)-3-Amino-5-trifluoromethylpiperidin-1-yl)quinoline-8-carbonitrileRefChem:136984TLR 7/8 Antagonist M5049TLR 7/8 Inhibitor M5049M 5049Enpatoran [USAN:INN]SCHEMBL18980030EX-A5509
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 65,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 472
Physikochemische Eigenschaften
- Siedepunkt
- 477.8 · 477.8±45.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 24.44 mg/mL · DMSO : 24.44 mg/mL (76.30 mM; Need ultrasonic)
- pka
- 9.5 · 9.50±0.40(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Light yellow to yellow
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
M5049 is a small molecule Toll-like receptor (TLR)7 and TLR8 inhibitor. The drug blocks activation of TLR7/8, thereby stopping immune cell activation, inflammation, and the progression into a cyotkine storm. The drug is currently being investigated against COVID-19.
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