Telcagepant
Grundinformationen
- CAS
781649-09-0- Standard-SMILES
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1- InChIKey
CGDZXLJGHVKVIE-DNVCBOLYSA-N- Summenformel
- C26H27F5N6O3
- Durchschnittliche Molmasse
- 566,5 g/mol
- Monoisotopische Masse
- 566,20647982
Überblick
Telcagepant has been investigated for the treatment of Migraine. It is an antagonist of the receptor for calcitonin gene-related peptide (CGRP), a primary neuropeptide involved in the pathophysiology of migraine. CGRP and its receptors are found in areas of the central and peripheral nervous system that are important for the transmission of migraine pain. During migraine attacks, CGRP activates these receptors and facilitates the transmission of pain impulses.
Namen und Bezeichner
- Bevorzugter Name
- Telcagepant
- IUPAC
- N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
- Englischer Name
- MK 0974, Telcagepant
- Summenformel
- C26H27F5N6O3
- Molmasse
- 566.52
Namen und Synonyme
Telcagepant781649-09-0MK-0974MK0974MK 0974D42O649ALLN-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideDTXSID50999410N-((3R,6S)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)hexahydro-1H-azepin-3-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxamidetelcagepantumN-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(2-oxo-3H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxamideRefChem:187742
Weitere Namen anzeigen
MK0947CS-454MK 0974, TelcagepantTelcagepant (MK-0974)MK 0974, Telcagepant ISO 9001：2015 REACH
DTXCID001426384N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(2-oxo-1H,2H,3H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxamideTelcagepant (USAN)Telcagepant [USAN]N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideCHEMBL236593N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideN-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)hexahydro-1h-azepin-3- yl)-4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 97,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 948
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Dichte
- 1.54 · 1.54
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Powder
- pka
- 12.03 · 12.03±0.20(Predicted)
- Farbe
- Light yellow to yellow
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
Telcagepant blocks the binding of CGRP to receptors within the areas of the central and peripheral nervous system that are important for the transmission of migraine pain and thereby is believed to inhibit the transmission of pain signals that lead to migraine headaches.
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