Lhc-165
Grundinformationen
- CAS
1258595-14-0- Standard-SMILES
Cc1cc(OCCOCCC(F)(F)P(=O)(O)O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)O)ccc3c2c1- InChIKey
SDLWKRZBLTZSEL-UHFFFAOYSA-N- Summenformel
- C29H32F2N3O7P
- Durchschnittliche Molmasse
- 603,5 g/mol
Überblick
TLR7 Agonist LHC165 is a benzonapthyridine Toll-like receptor (TLR) 7 agonist that is adsorbed to aluminum hydroxide with immunostimulating and potential antitumor activities. Upon intratumoral administration of TLR7 agonist LHC165, the agent is slowly released and targets, binds to and activates TLR7. This may trigger, in addition to other possible responses, the activation of cluster of differentiation (CD) 8+ T cells and natural killer (NK) cells, the blockage of the suppressive function of regulatory T cells (Tregs), and the production of interferon alpha (IFNa). TLR7 is a member of the TLR family, which plays a fundamental role in pathogen recognition and activation of innate immunity.
Namen und Bezeichner
- Bevorzugter Name
- Lhc-165
- IUPAC
- 3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid
- Englischer Name
- Benzo[f][1,7]naphthyridine-8-propanoic acid, 5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]-
- Summenformel
- C29H32F2N3O7P
- Molmasse
- 603.55
Namen und Synonyme
LHC-165LHC165UNII-RD02U4QLM1Benzo(F)(1,7)naphthyridine-8-propanoic acid, 5-amino-2-(2-(4-(2-(3,3-difluoro-3-phosphonopropoxy)ethoxy)-2-methylphenyl)ethyl)-RefChem:153264TLR7 Agonist LHC165LHC 1651258595-14-0RD02U4QLM13-(5-amino-2-(4-(2-(3,3-difluoro-3-phosphonopropoxy)ethoxy)-2-methylphenethyl)benzo[f][1,7]naphthyridin-8-yl)propanoic acid3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acidSCHEMBL174281
Weitere Namen anzeigen
LHC 165,LHC165Benzo[f][1,7]naphthyridine-8-propanoic acid, 5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]-
orb1707070C29H32F2N3O7PCHEMBL6027253SCHEMBL29413224SCHEMBL29454511US9597326, Compound 20BDBM301804IAC59514
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 165 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 42
- Formalladung
- 0
- Komplexität
- 928
Physikochemische Eigenschaften
- Siedepunkt
- 829.8 · 829.8±75.0 °C(Predicted)
- Dichte
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · Store at -20°C, stored under nitrogen
- Löslichkeit
- 1 M · 1M NaOH : 50 mg/mL (82.84 mM; ultrasonic and adjust pH to 12 with NaOH)
- Aggregatzustand
- Solid
- pka
- 1.19 · 1.19±0.10(Predicted)
- Farbe
- Light yellow to yellow
Zugehörige Reaktionen
1
Notizen zur Verbindung
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