EGFR inhibitor
Grundinformationen
- CAS
879127-07-8- Standard-SMILES
O=C(Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1)C1CC1- InChIKey
YOHYSYJDKVYCJI-UHFFFAOYSA-N- Summenformel
- C21H18F3N5O
- Durchschnittliche Molmasse
- 413,4 g/mol
- Monoisotopische Masse
- 413,1463447
Überblick
Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor is any agent that inhibits the activity of the epidermal growth factor receptor (EGFR) tyrosine kinase.
Namen und Bezeichner
- Bevorzugter Name
- EGFR inhibitor
- IUPAC
- N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
- Englischer Name
- EGFR inhibitor
- Summenformel
- C21H18F3N5O
- Molmasse
- 413.4
Namen und Synonyme
EGFR Inhibitor879127-07-8N-(3-((6-((3-(Trifluoromethyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)cyclopropanecarboxamideDTXSID40429554N-{3-[(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}cyclopropanecarboxamideN-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamideEGFR BlockerEGFR-TK InhibitorRefChem:136350EGFR Tyrosine Kinase InhibitorEGFR Tyrosine Kinase InhibitorsDTXCID30380387
Weitere Namen anzeigen
EGFR inhibitor(YUN27078)EGFR-IN-12, 10 mM in DMSOEGFR-IN-12 (EGFR Inhibitor)EGFR Inhibitor [879127-07-8]EGFR Inhibitor [879127-07-8] - EGFR Inhibitor 324674CyclopropanecarboxaMide, N-[3-[[6-[[3-(trifluoroMethyl)phenyl]aMino]-4-pyriMidinyl]aMino]phenyl]-
Epidermal Growth Factor Receptor InhibitorEpidermal Growth-Factor Receptor InhibitorsEPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITOREGFR-IN-12N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamideEGFR Inhibitor 324674CHEMBL387187MFCD13191284
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 78,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 585
Physikochemische Eigenschaften
- Siedepunkt
- 605.9 · 605.9±55.0 °C(Predicted)
- Dichte
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 2 O; · insoluble in H2O; insoluble in EtOH; ≥60.7 mg/mL in DMSO
- Aggregatzustand
- crystalline solid
- pka
- 14.5 · 14.50±0.70(Predicted)
- Farbe
- Off-white to light yellow
- InChI
- 1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
- InChIKey
- YOHYSYJDKVYCJI-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(ccc1)Nc2ncnc(c2)Nc3cc(ccc3)NC(=O)C4CC4
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenEGFR Inhibitor is a highly selective, cell-permeable EGFR inhibitor.
Anbieter46 Anbieter
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