Ibrolipim
Grundinformationen
- CAS
133208-93-2- Standard-SMILES
CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1)OCC- InChIKey
KPRTURMJVWXURQ-UHFFFAOYSA-N- Summenformel
- C19H20BrN2O4P
- Durchschnittliche Molmasse
- 451,2 g/mol
- Monoisotopische Masse
- 450,03440585
Überblick
Ibrolipim is a small molecule drug. Ibrolipim has a monoisotopic molecular weight of 450.03 Da.
Namen und Bezeichner
- Bevorzugter Name
- Ibrolipim
- IUPAC
- N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
- Englischer Name
- NO-1886
- Summenformel
- C19H20BrN2O4P
- Molmasse
- 451.25
Namen und Synonyme
Ibrolipim133208-93-2NO-18864-Diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamideOPF-009OPF009DTXSID20157989Phosphonic acid, ((4-(((4-bromo-2-cyanophenyl)amino)carbonyl)phenyl)methyl)-, diethyl esterPhosphonic acid, [[4-[[(4-bromo-2-cyanophenyl)amino]carbonyl]phenyl]methyl]-, diethyl ester07H1561618Diethyl [[4-[[(4-bromo-2-cyanophenyl)amino]carbonyl]phenyl]methyl]phosphonateibrolipimum
Weitere Namen anzeigen
NO-1886 IbrolipimIbrolipim NO-1886Ibrolipim, 10 mM in DMSODiethyl 4-[(4-bromo-2-cyanophenyl)carbamoyl]benzylphosphonate
Diethyl ((4-(((4-bromo-2-cyanophenyl)amino)carbonyl)phenyl)methyl)phosphonateRefChem:789641DTXCID2080480Lipoprotein Lipase ActivatorOPF 009Diethyl (4-((4-bromo-2-cyanophenyl)carbamoyl)benzyl)phosphonateDiethyl 4-((4-bromo-2-cyanophenyl)carbamoyl)benzylphosphonateN-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 88,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 576
Experimentelle und physikochemische Eigenschaften
LogP3.21
Physikochemische Eigenschaften
- Schmelzpunkt
- 160.5 · 160.5-162.1 °C
- Siedepunkt
- 512.5 · 512.5±50.0 °C(Predicted)
- Dichte
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- 20 mg/mL · DMSO: ≥20mg/mL
- Aggregatzustand
- powder
- pka
- 11.51 · 11.51±0.70(Predicted)
- Farbe
- off-white to pale yellow
- InChI
- 1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)
- InChIKey
- KPRTURMJVWXURQ-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(Cc1ccc(cc1)C(=O)Nc2ccc(Br)cc2C#N)OCC
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 36/37/38-25
- hazard_code
- Xi,T
- safety_code
- 26-36-45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesIbrolipim has known human metabolites that include [4-[(4-Bromo-2-cyanophenyl)carbamoyl]phenyl]methyl-ethoxyphosphinic acid.
MeSH Pharmacological Classification
Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Compounds that increase the enzymatic activity of LIPOPROTEIN LIPASE. Lipoprotein lipase activators have a potential role in the treatment of OBESITY by increasing LIPID METABOLISM. Note that substances that increase the synthesis of lipoprotein lipase are not included here.
Anwendungen
VerwendenAntiatherogenic; antiobesity; antidyslipidemia; anticachexia; and antidiabetes/syndrome.
Zugehörige Reaktionen
5
Notizen zur Verbindung
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