(4-Bromophenyl)(2-fluoro-4-((6-(methyl-2-propen-1-ylamino)hexyl)oxy)phenyl)methanone
Grundinformationen
- CAS
161582-11-2- Standard-SMILES
C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1- InChIKey
CMYCCJYVZIMDFU-UHFFFAOYSA-N- Summenformel
- C23H27BrFNO2
- Durchschnittliche Molmasse
- 448,4 g/mol
- Monoisotopische Masse
- 447,12092
Überblick
Ro 48-8071 is an aromatic ketone that is 2-fluoro-4'-bromobenzophenone in which the hydrogen at position 4 (meta to the fluoro group) is replaced by a 6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy group. An inhibitor of lanosterol synthase. It has a role as an EC 5.4.99.7 (lanosterol synthase) inhibitor and an antineoplastic agent. It is an aromatic ether, a member of bromobenzenes, a tertiary amino compound, an aromatic ketone, an olefinic compound and a member of monofluorobenzenes. It is functionally related to a benzophenone. It is a conjugate base of a Ro 48-8071(1+).
Namen und Bezeichner
- Bevorzugter Name
- (4-Bromophenyl)(2-fluoro-4-((6-(methyl-2-propen-1-ylamino)hexyl)oxy)phenyl)methanone
- IUPAC
- (4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
- Englischer Name
- (4-Bromophenyl)[3-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-methanone
- Summenformel
- C23H27BrFNO2
- Molmasse
- 448.37
Namen und Synonyme
Ro 48-8071161582-11-2DTXSID90870077CHEBI:101064(4-bromophenyl)-(2-fluoro-4-(6-(methyl-prop-2-enylamino)hexoxy)phenyl)methanone(4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl]methanoneRefChem:906100DTXCID60817919(4-Bromophenyl)(2-fluoro-4-((6-(methyl-2-propen-1-ylamino)hexyl)oxy)phenyl)methanone[4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanoneRo-48-8071(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
Weitere Namen anzeigen
(4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]methanoneMethanone, (4-broMophenyl)[2-fluoro-4-[[6-(Methyl-2-propenylaMino)hexyl]oxy]phenyl]-Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-
YDR69X9Q9MR048-8071CHEMBL304858(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone(4-BROMOPHENYL)[3-FLUORO-4-[[6-(METHYL-2-PROPENYLAMINO)HEXYL]OXY]PHENYL]-METHANONEC23H27BRFNO2[4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone1gsz
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 468
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Siedepunkt
- 522.8 · 522.8±50.0 °C(Predicted)
- Dichte
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:2): .25 mg/ml
- pka
- 8.88 · 8.88±0.50(Predicted)
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
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H225
Chemie und Industrie
Anwendungen
BeschreibungOxidosqualene cyclase (OSC) is a microsomal enzyme that catalyzes the cyclization of monooxidosqualene to lanosterol in the cholesterol synthetic pathway. Ro 48-8071 is an inhibitor of oxidosqualene cyclase (OSC) that has low-density lipoprotein (LDL) cholesterol lowering activity similar to the 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) inhibitor simvastatin. It inhibits OSC from human liver microsomes and HepG2 cells with IC50 values of approximately 6.5 nM and 1.5 nM, respectively. Ro 48-8071 lowered LDL cholesterol ~40% in hamsters at a dose of 150 μg/kg without affecting high-density lipoprotein levels and with no sign of liver toxicity. Ro 48-8071 increases cytochrome P3A mRNA and protein levels in primary rat and murine hepatocyte cultures with a maximal effect at 30 μM.
VerwendenRo 48-8071 is an inhibitor of oxidosqualene cyclase.
Anbieter25 Anbieter
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海波以尔化工有限公司[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海合必成医药科技有限公司19564164886 13701791899 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
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