808127-81-3

Basic information

• Product Name: 4-BroMo-7-hydroxyisoindolin-1-one
• Synonyms: 4-BroMo-7-hydroxyisoindolin-1-one;4-Bromo-7-hydroxy-2,3-dihydro-isoindol-1-one
• CAS NO: 808127-81-3
• Molecular Formula: C8H6BrNO2
• Molecular Weight: 228.04274
• Mol File: 808127-81-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 530.8±50.0 °C(Predicted)
• Appearance: /
• Density: 1.814±0.06 g/cm3(Predicted)
• PKA: 7.92±0.20(Predicted)
• CAS DataBase Reference: 4-BroMo-7-hydroxyisoindolin-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BroMo-7-hydroxyisoindolin-1-one(808127-81-3)
• EPA Substance Registry System: 4-BroMo-7-hydroxyisoindolin-1-one(808127-81-3)

Safety Data

• Hazardous Substances Data: 808127-81-3(Hazardous Substances Data)

Usage

General Description

4-Bromo-7-hydroxyisoindolin-1-one is a chemical compound with the molecular formula C8H5BrNO2. It is a derivative of isoindolin-1-one, which is a heterocyclic compound widely used in pharmacological and industrial applications. This particular compound is known for its bromo and hydroxy functional groups, which give it unique chemical and biological properties. It is used in the synthesis of various pharmaceuticals, agrochemicals, and dyes. Its bromo and hydroxy groups make it a versatile building block for the construction of complex organic molecules. Additionally, 4-Bromo-7-hydroxyisoindolin-1-one has shown potential as a precursor for the development of new drug candidates and agrochemicals with improved properties.

Upstream product

• 133379-05-2 ethyl 3-bromo-2-(bromomethyl)-6-methoxybenzoate 
• 6520-83-8 ethyl 2-methoxy-6-methylbenzoate 
• 808127-82-4 4-bromo-7-methoxy-2,3-dihydro-1H-isoindol-1-one 

Downstream Products

• 1033809-85-6 7-hydroxy-2,3-dihydro-1H-isoindol-1-one 

Relevant articles and documents

Design and synthesis of pyrrolo[3,2- d ]pyrimidine human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) dual inhibitors: Exploration of novel back-pocket binders

To develop novel human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) kinase inhibitors, we explored pyrrolo[3,2-d]pyrimidine derivatives bearing bicyclic fused rings designed to fit the back pocket of the HER2/EGFR proteins. Among them, the 1,2-benzisothiazole (42m) ring was selected as a suitable back pocket binder because of its potent HER2/EGFR binding and cell growth inhibitory (GI) activities and pseudoirreversibility (PI) profile as well as good bioavailability (BA). Ultimately, we arrived at our preclinical candidate 51m by optimization of the N-5 side chain to improve CYP inhibition and metabolic stability profiles without a loss of potency (HER2/EGFR inhibitory activity, IC50, 0.98/2.5 nM; and GI activity BT-474 cells, GI50, 2.0 nM). Reflecting the strong in vitro activities, 51m exhibited potent tumor regressive efficacy against both HER2- and EGFR-overexpressing tumor (4-1ST and CAL27) xenograft models in mice at oral doses of 50 mg/kg and 100 mg/kg.

Isoindolinone kinase inhibitors

Compounds having the formula are useful for inhibiting protein tyrosine kinases. The present invention also discloses methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.