57704-16-2

Basic information

• Product Name: 1'-Hydroxybufuralol
• Synonyms: Ro 03-7410;2-(tert-Butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol;1’-Hydroxy Bufuralol (Mixture of Diastereomers);1'-Hydroxybufuralol;α2-[[(1,1-DiMethylethyl)aMino]Methyl]-α7-Methyl-;2-(tert- Butylamino)-1-(7-(1- hydroxyethyl)benzofuran-2- yl)ethanol maleate
• CAS NO: 57704-16-2
• Molecular Formula: C₁₆H₂₃NO₃
• Molecular Weight: 277.36
• Product Categories: Aromatics;Heterocycles;Metabolites & Impurities
• Mol File: 57704-16-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: 41-49°C
• Boiling Point: 433 °C at 760 mmHg
• Flash Point: 215.7 °C
• Appearance: /
• Density: 1.139g/cm³
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
• PKA: 13.58±0.20(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: 1'-Hydroxybufuralol(CAS DataBase Reference)
• NIST Chemistry Reference: 1'-Hydroxybufuralol(57704-16-2)
• EPA Substance Registry System: 1'-Hydroxybufuralol(57704-16-2)

Safety Data

• Hazardous Substances Data: 57704-16-2(Hazardous Substances Data)

Usage

Description

1'-Hydroxybufuralol is a metabolite of bufuralol, which is a pharmaceutical compound that has been used as a non-selective beta-adrenergic receptor antagonist. It is metabolized by the cytochrome P450 isoforms 2D1 and 2D2 (CYP2D1/2), and its quantification can be utilized to determine the CYP2D1/2 enzyme activity in humans and rats. This metabolite is a white to off-white solid and has significant implications in the field of pharmacology and drug metabolism.

Uses

Used in Pharmaceutical Industry:
1'-Hydroxybufuralol is used as a diagnostic marker for assessing the activity of CYP2D1/2 enzymes. This is important because the activity of these enzymes can vary significantly among individuals, leading to differences in drug metabolism and response. By measuring the levels of 1'-Hydroxybufuralol, healthcare professionals can better understand a patient's metabolic profile and tailor drug dosages accordingly.
Used in Research and Development:
1'-Hydroxybufuralol is used as a research tool in the development of new drugs and therapies. Understanding the metabolic pathways and enzyme activities involved in the breakdown of bufuralol can help researchers design more effective medications with fewer side effects and improved pharmacokinetics.
Used in Drug Metabolism Studies:
1'-Hydroxybufuralol is used as a reference compound in drug metabolism studies. By analyzing the metabolic profile of bufuralol and its metabolites, researchers can gain insights into the metabolic processes and identify potential drug-drug interactions or other factors that may affect the efficacy and safety of medications.
Used in Toxicology and Safety Assessment:
1'-Hydroxybufuralol can be used in toxicology and safety assessment studies to evaluate the potential risks and side effects of bufuralol and other related compounds. By understanding the metabolic pathways and the formation of metabolites, researchers can better predict the safety profile of these drugs and develop strategies to minimize adverse effects.

Upstream product

• 97733-09-0 3-tert-butyl-5(S)-<7-(1-hydroxyethyl)-2-benzofuranyl>-oxazolidinone 
• 64100-62-5 (-)-Bufuralol 
• 97733-04-5 3-tert-butyl-5(S)-(7-ethyl-2-benzofuranyl)-2-oxazolidinone 
• 97733-05-6 (S)-5-[7-(1-Bromo-ethyl)-benzofuran-2-yl]-3-tert-butyl-oxazolidin-2-one 
• 97733-09-0 3-tert-butyl-5(R)-<7-(1-hydroxyethyl)-2-benzofuranyl>-oxazolidinone 
• 64100-61-4 (+)-Bufuralol 
• 97749-44-5 3-tert-butyl-5(R)-(7-ethyl-2-benzofuranyl)-2-oxazolidinone 
• 97733-05-6 (R)-5-[7-(1-Bromo-ethyl)-benzofuran-2-yl]-3-tert-butyl-oxazolidin-2-one 

Relevant articles and documents

β-Adrenoceptor activity of the stereoisomers of the bufuralol alcohol and ketone metabolites

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