893643-73-7

Basic information

• Product Name: Ethyl 2-(4-bromobenzoyl)-3-oxobutanoate
• Synonyms: 2-(4-bromo-benzoyl)-3-oxo-butyric acid ethyl ester
• CAS NO: 893643-73-7
• Molecular Formula: C13H13BrO4
• Molecular Weight: 313.148
• Mol File: 893643-73-7.mol

Chemical Properties

• Boiling Point: 384.2±32.0 °C(Predicted)
• Density: 1.419±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Ethyl 2-(4-bromobenzoyl)-3-oxobutanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 2-(4-bromobenzoyl)-3-oxobutanoate(893643-73-7)
• EPA Substance Registry System: Ethyl 2-(4-bromobenzoyl)-3-oxobutanoate(893643-73-7)

Safety Data

• Hazardous Substances Data: 893643-73-7(Hazardous Substances Data)

Upstream product

• 586-75-4 4-chlorobenzoyl chloride 
• 141-97-9 ethyl acetoacetate 

Downstream Products

• 917388-58-0 5-(4-bromophenyl)-3-methylisoxazole-4-carboxylic acid ethyl ester 
• 91062-73-6 5-(4-bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid amide 
• 91182-60-4 5-(4-bromophenyl)-3-methylisoxazole-4-carboxylic acid 

Relevant articles and documents

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The invention belongs to the technical field of medicinal chemistry, and particularly relates to lysophosphatidic acid receptor antagonists and a preparation method thereof. The applicant surprisinglyfinds that compounds provided by the invention have high LPAR1 antagonistic activity and selectivity, low toxicity, good metabolic stability and good drug development prospect, and can be used for preventing or treating diseases or symptoms related to LPAR1. The applicant also accidentally finds that the IC50 value of part of the compounds can be as low as 300 nM or below and even 50 nM or below.Moreover, the compounds disclosed by the invention have better safety, and the CC50 range of the compounds can reach 200 [mu]M or above. In addition, the compounds of the present invention have goodmetabolic stability in humans, rats, and mice, such excellent inhibitory activity being very desirable for their use as LPAR1 inhibitors in the above diseases or disorders. In addition, the preparation method of the compounds is simple, mild in reaction condition, high in product yield and suitable for industrial production.

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