Losartan carboxaldehyde
Grundinformationen
- CAS
114798-36-6- Standard-SMILES
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1- InChIKey
FQZSMTSTFMNWQF-UHFFFAOYSA-N- Summenformel
- C22H21ClN6O
- Durchschnittliche Molmasse
- 420,9 g/mol
- Monoisotopische Masse
- 420,146537
Überblick
E-3179 is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- Losartan carboxaldehyde
- IUPAC
- 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
- Englischer Name
- Losartan Carboxaldehyde
- Summenformel
- C22H21ClN6O
- Molmasse
- 420.9
Namen und Synonyme
Losartan Carboxaldehyde114798-36-6DUP-167EXP-3179KJ52CU0VV62-Butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazol-5-carbaldehyde1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-DTXSID801508551H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2-Butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-imidazol-5-carbaldehydeRefChem:924933DTXCID8073346
Weitere Namen anzeigen
DUP 167EXP 3179Losartan AldehydeLosartan Impurity K (EP)Losartan Carboxaldehyde-d3Losartan Related CoMpound CLosartan Potassium Impurity KLosartan USP Related Compound C
Losartan EP Impurity K2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehydeUNII-KJ52CU0VV6E-3179CHEMBL308493Losartan potassium specified impurity K [EP]Losartan Carboxaldehyde;DuP 1671-((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 89,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 546
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Metabolite of Losartan
Physikochemische Eigenschaften
- Schmelzpunkt
- 84 · 84-86°C
- Siedepunkt
- 666.7 · 666.7±65.0 °C(Predicted)
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator, Under Inert Atmosphere
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.16 · 4.16±0.10(Predicted)
- Farbe
- Off-White to Light Yellow
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
- InChIKey
- FQZSMTSTFMNWQF-UHFFFAOYSA-N
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
- WGK 3
- hs_code
- 2933290000
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesLosartan carboxaldehyde has known human metabolites that include Losartan carboxylic acid and 5-chloro-2-(1-hydroxybutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde.
Tissue LocationsKidney
Cellular LocationsExtracellular
Anwendungen
BeschreibungLosartan carboxaldehyde is an intermediate aldehyde metabolite of the angiotensin II type 1 receptor antagonist, losartan . It does not block angiotensin receptors, but instead inhibits endothelial cyclooxygenase (COX)-2 expression, thereby exerting anti-inflammatory actions. At 1 μM in vitro, losartan carboxaldehyde has also been shown to block the upregulation of intercellular adhesion molecule (ICAM)-1 mRNA and COX-dependent generation of thromboxane A2 and prostaglandin F2α . Losartan carboxaldehyde can also act as a partial agonist (EC50 = 17.1 μM) of the insulin-sensitizing peroxisome proliferator-activated receptor γ in vitro.
VerwendenLosartan carboxaldehyde is an intermediate aldehyde metabolite of the angiotensin II type 1 receptor antagonist, losartan . It does not block angiotensin receptors, but instead inhibits endothelial cyclooxygenase (COX)-2 expression, thereby exerting anti-inflammatory actions. At 1 μM in vitro, losartan carboxaldehyde has also been shown to block the upregulation of intercellular adhesion molecule (ICAM)-1 mRNA and COX-dependent generation of thromboxane A2 and prostaglandin F2α . Losartan carboxaldehyde can also act as a partial agonist (EC50 = 17.1 μM) of the insulin-sensitizing peroxisome proliferator-activated receptor γ in vitro.[Cayman Chemical]
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