Mb07811
Grundinformationen
- CAS
852948-13-1- Standard-SMILES
Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1- InChIKey
LGGPZDRLTDGYSQ-JADSYQMUSA-N- Summenformel
- C28H32ClO5P
- Durchschnittliche Molmasse
- 515 g/mol
- Monoisotopische Masse
- 514,1675888
Überblick
MB07811 is the first of a novel class of product candidates discovered by Metabasis designed to lower serum cholesterol and triglycerides. MB07811, a small molecule that is administered orally, has been extensively studied preclinically and is currently undergoing clinical testing. MB07811 combines a novel thyroid hormone receptor agonist with the Company's novel HepDirect liver targeting prodrug technology. The combination of selectivity for the beta form of the receptor, liver targeting and other structural characteristics that limit extra-hepatic activity is designed to provide significant efficacy while avoiding side effects associated with activation of thyroid hormone receptors outside the liver.
Namen und Bezeichner
- Bevorzugter Name
- Mb07811
- IUPAC
- 4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
- Englischer Name
- trans-(S)-2-[[3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy]methyl]-4-(3-chlorophenyl)-2-oxo-[1,3,2]dioxaphosphorinane
- Summenformel
- C28H32ClO5P
- Molmasse
- 514.98
Namen und Synonyme
MB07811VK2809MB 07811RefChem:810701MB-07811852948-13-1VK-2809UNII-3Z11398FNQ(2R,4S)-4-(3-Chlorophenyl)-2-((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)-1,3,2-dioxaphosphinane 2-oxideMB-07811 (VK-2809)3Z11398FNQPhenol, 4-((4-(((2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl)methoxy)-2,6-dimethylphenyl)methyl)-2-(1-methylethyl)-
Weitere Namen anzeigen
MB-07811 ( VK-2809)4-(3-chlorophenyl)-2-((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)-1,3,2-dioxaphosphinane 2-oxide
4-[[4-[[(2R,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)phenol4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenolPhenol, 4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)-trans-(S)-2-((3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy)methyl)-4-(3-chlorophenyl)-2-oxo-(1,3,2)dioxaphosphorinanetrans-(S)-2-[[3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy]methyl]-4-(3-chlorophenyl)-2-oxo-[1,3,2]dioxaphosphorinaneSCHEMBL282796CHEMBL457748SCHEMBL29932737
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 65 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 707
Physikochemische Eigenschaften
- Schmelzpunkt
- 77 · 77-82 °C
- Siedepunkt
- 660.6 · 660.6±55.0 °C(Predicted)
- Dichte
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- Löslichkeit
- Acetonitrile: SolubleDMSO: Soluble
- pka
- 10.31 · 10.31±0.30(Predicted)
- Aggregatzustand
- Solid
- InChIKey
- LGGPZDRLTDGYSQ-WJVKJDHCSA-N
- SMILES
- O1CC[C@@H](C2=CC=CC(Cl)=C2)O[P@@]1(COC1=CC(C)=C(CC2=CC=C(O)C(C(C)C)=C2)C(C)=C1)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
Pharmacodynamics
MB07811's TR beta receptor selectivity and liver targeting could harness the efficacy of the approach, while avoiding extra-hepatic activation of TR alpha and TR beta receptors that may lead to therapy limiting side effects. These benefits may include: reduction of LDL and total cholesterol, Reduced liver and serum triglycerides, reduced Lp(a) and enhanced clearance of liver fat.
Mechanism of ActionStudies indicate that targeting TR agonists to the liver has the potential to lower both LDL-cholesterol (the "bad" cholesterol) and both hepatic and plasma triglyceride levels.
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