6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid
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Grundinformationen
- CAS
1103500-20-4- Standard-SMILES
Cn1cc(C(=O)O)c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21- InChIKey
RPVDFHPBGBMWID-UHFFFAOYSA-N- Summenformel
- C28H27Cl2N3O4
- Durchschnittliche Molmasse
- 540,4 g/mol
- Monoisotopische Masse
- 539,1378617
Überblick
TERN-101 is under investigation in clinical trial NCT04328077 (LIFT Study: A Safety, Tolerability, Efficacy, and Pharmacokinetics Study of TERN-101 in Subjects With Non-cirrhotic Non-alcoholic Steatohepatitis (NASH)).
Namen und Bezeichner
- Bevorzugter Name
- 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid
- IUPAC
- 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid
- Englischer Name
- LY-2562175
- Summenformel
- C28H27Cl2N3O4
- Molmasse
- 540.44
Namen und Synonyme
6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid6-(4-{[5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl]methoxy}piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic AcidRefChem:1880061103500-20-4LY2562175LY-2562175TERN-101VVA2ZDV3LX1H-Indole-3-carboxylic acid, 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]-1-piperidinyl]-1-methyl-CHEMBL37463886-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid1H-Indole-3-carboxylic acid, 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)-1-piperidinyl)-1-methyl-
Weitere Namen anzeigen
CS-2847LY2562175, 10 mM in DMSOLY 2562175,NR1H4,Inhibitor,LY-2562175,Autophagy,LY2562175,inhibit,FXR
RPVDFHPBGBMWID-UHFFFAOYSA-NUNII-VVA2ZDV3LXC28H27Cl2N3O4orb1308101SCHEMBL1097262SCHEMBL29362023DTXSID401381990GLXC-21111
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 80,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 800
Physikochemische Eigenschaften
- Siedepunkt
- 740.1 · 740.1±60.0 °C(Predicted)
- Dichte
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 3.43 · 3.43±0.10(Predicted)
- Farbe
- White to light yellow
Chemie und Industrie
Anwendungen
BeschreibungLY2562175 is a farnesoid X receptor (FXR) agonist (EC50 = 193 nM in a reporter assay). It is selective for FXR over the glucocorticoid, androgen, mineralocorticoid, and progesterone receptors in HEK293 cells overexpressing the human receptors (EC50s = >10 μM for all in a radioligand binding assay). LY2562175 increases the interaction between FXR and steroid receptor coactivator 1 (SRC-1) with an EC50 value of 121 nM in a cell-free assay. It reduces plasma triglyceride and total cholesterol levels in LDL receptor-null mice (ED50s = 3.4 and 2 mg/kg, respectively). LY2562175 also decreases plasma LDL and increases HDL levels in Zucker diabetic fatty (ZDF) rats when administered at doses of 3, 10, and 30 mg/kg for nine days.
VerwendenLY2562175, is a potent and selective FXR agonist with an EC50 of 193 nM.
Zugehörige Reaktionen
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