1020336-51-9

Basic information

• Product Name: 3-BROMO-5-HYDROXYBENZYL ALCOHOL
• Synonyms: 5-BROMO-3-HYDROXYBENZYL ALCOHOL;3-BROMO-5-HYDROXYBENZYL ALCOHOL;3-Bromo-5-hydroxymethylphenol;3-Bromo-5-hydroxybenzenemethanol
• CAS NO: 1020336-51-9
• Molecular Formula: C₇H₇BrO₂
• Molecular Weight: 203.03
• Product Categories: Benzhydrols, Benzyl & Special Alcohols
• Mol File: 1020336-51-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 348.4±27.0 °C(Predicted)
• Appearance: /
• Density: 1.722±0.06 g/cm3(Predicted)
• PKA: 8.78±0.10(Predicted)
• CAS DataBase Reference: 3-BROMO-5-HYDROXYBENZYL ALCOHOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-5-HYDROXYBENZYL ALCOHOL(1020336-51-9)
• EPA Substance Registry System: 3-BROMO-5-HYDROXYBENZYL ALCOHOL(1020336-51-9)

Safety Data

• Hazardous Substances Data: 1020336-51-9(Hazardous Substances Data)

Usage

Uses

3-Bromo-5-hydroxybenzyl Alcohol is an intermediate used to prepare (isoxazolylphenyl)arylmethanols as inhibitors of the BET bromodomain family member BRD4(1) for potential use as antitumor agents.

Upstream product

• 140472-69-1 3-bromo-5-hydroxy-benzoic acid 

Downstream Products

• 1155807-96-7 (3-bromo-5-(4-(trifluoromethyl)benzyloxy)phenyl)methanol 
• 1246206-29-0 4-[3-[6-(3-bromo-5-hydroxymethyl-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy]-butyric acid ethyl ester 
• 98015-54-4 (+)-PD-116740 

Relevant articles and documents

BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability

Ligands for the bromodomain and extra-terminal domain (BET) family of bromodomains have shown promise as useful therapeutic agents for treating a range of cancers and inflammation. Here we report that our previously developed 3,5-dimethylisoxazole-based BET bromodomain ligand (OXFBD02) inhibits interactions of BRD4(1) with the RelA subunit of NF-κB, in addition to histone H4. This ligand shows a promising profile in a screen of the NCI-60 panel but was rapidly metabolised (t? = 39.8 min). Structure-guided optimisation of compound properties led to the development of the 3-pyridyl-derived OXFBD04. Molecular dynamics simulations assisted our understanding of the role played by an internal hydrogen bond in altering the affinity of this series of molecules for BRD4(1). OXFBD04 shows improved BRD4(1) affinity (IC50 = 166 nM), optimised physicochemical properties (LE = 0.43; LLE = 5.74; SFI = 5.96), and greater metabolic stability (t? = 388 min).

PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS

New pyrrolotriazinone derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks).

LEUKOTRIENE B4 INHIBITORS

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, COPD