Ibrolipim

HCID 131601CAS 133208-93-2

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Grundinformationen

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

CAS: 133208-93-2
PubChem CID: 131601
DTXSID: DTXSID20157989
ChEMBL: CHEMBL34234
UNII: 07H1561618
EC Number: 634-329-1
Nikkaji: J692.960E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 88,4 Å²
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

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 2 Einträge

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.