3-(4-tert-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)but-2-enamide
Grundinformationen
- CAS
545395-94-6- Standard-SMILES
C/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1- InChIKey
KMBWCPFCZKOCQV-FYWRMAATSA-N- Summenformel
- C22H25NO3
- Durchschnittliche Molmasse
- 351,4 g/mol
- Monoisotopische Masse
- 351,18344366
Namen und Bezeichner
- Bevorzugter Name
- 3-(4-tert-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)but-2-enamide
- IUPAC
- (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide
- Englischer Name
- AMG 9810
- Summenformel
- C21H23NO3
- Molmasse
- 337.41
Namen und Synonyme
CHEMBL363632SCHEMBL13675681BDBM50158664(2E)-3-(4-tert-Butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide(E)-3-(4-tert-Butyl-phenyl)-but-2-enoic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide3-(4-tert-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)but-2-enamide9810CS-2548AMG 9810AMG-9810 ，S6934AMG 9810AMG-9810
Weitere Namen anzeigen
AMG9810, 10 mM in DMSOAMG 9810 >=98% (HPLC), powder(2E)-N-(2，3-Dihydro-1，4-benzodiAMG 9810, TRPV1 receptor antagonist3-[4-(TERT-BUTYL)PHENYL]-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ACRYLAMIDE
Datenbank-Bezeichner
- CAS
545395-94-6- PubChem CID
- 11484937
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 47,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 514
Physikochemische Eigenschaften
- Siedepunkt
- 512.5 · 512.5±50.0 °C(Predicted)
- Dichte
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 5 mg/mL · DMSO: >5mg/mL
- Aggregatzustand
- powder
- pka
- 12.22 · 12.22±0.20(Predicted)
- Farbe
- white to beige
- InChI
- 1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+
- InChIKey
- GZTFUVZVLYUPRG-IZZDOVSWSA-N
- SMILES
- CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4
Chemie und Industrie
Anwendungen
BeschreibungAMG 9810 is a competitive antagonist of capsaicin activation of the vanilloid receptor 1 (TRPV1) (IC50s = 24.5 and 85.6 nM for human and rat, respectively). Additionally, it has been shown to compete with other modes of TRPV1 activation, including protons (IC50s = 92.7 and 294 nM for human and rat, respectively), heat (IC50s = 15.8 and 21 nM for human and rat, respectively), and the endogenous ligands: anandamide, N-arachidonyl dopamine (IC50s = 8.5 and 260 nM for human and rat, respectively), and oleoyldopamine. In a rat model of inflammatory pain induced by intraplantar injection of complete Freund’s adjuvant, 30-100 mg/kg AMG 9810 reverses thermal and mechanical hyperalgesia.
VerwendenAMG 9810 is a competitive antagonist of capsaicin activation of the vanilloid receptor 1 (TRPV1) (IC50s = 24.5 and 85.6 nM for human and rat, respectively). Additionally, it has been shown to compete with other modes of TRPV1 activation, including protons (IC50s = 92.7 and 294 nM for human and rat, respectively), heat (IC50s = 15.8 and 21 nM for human and rat, respectively), and the endogenous ligands: anandamide, N-arachidonyl dopamine (IC50s = 8.5 and 260 nM for human and rat, respectively), and oleoyldopamine. In a rat model of inflammatory pain induced by intraplantar injection of complete Freund’s adjuvant, 30-100 mg/kg AMG 9810 reverses thermal and mechanical hyperalgesia.[Cayman Chemical]
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