1226405-13-5

Basic information

• Product Name: 4-(4-(4-chlorophenoxy)butoxy)benzaldehyde
• Synonyms: 4-(4-(4-chlorophenoxy)butoxy)benzaldehyde
• CAS NO: 1226405-13-5
• Molecular Weight: 304.773
• Mol File: 1226405-13-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-(4-(4-chlorophenoxy)butoxy)benzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-(4-chlorophenoxy)butoxy)benzaldehyde(1226405-13-5)
• EPA Substance Registry System: 4-(4-(4-chlorophenoxy)butoxy)benzaldehyde(1226405-13-5)

Safety Data

• Hazardous Substances Data: 1226405-13-5(Hazardous Substances Data)

Upstream product

• 2033-81-0 1-(4-bromobutoxy)-4-chlorobenzene 
• 123-08-0 4-hydroxy-benzaldehyde 

Downstream Products

• 1242248-33-4 (E)-ethyl 4-(3-(4-(4-(4-chlorophenoxy)butoxy)phenyl)acryloyl)-3-hydroxybenzoate 
• 1242248-31-2 (E)-3-(4-(4-(4-chlorophenoxy)butoxy)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one 
• 1148016-48-1 (E)-4-(carboxymethoxy)-3-(3-(4-(4-(4-chlorophenoxy)butoxy)phenyl)acryloyl)benzoic acid 
• 1429481-48-0 (E)-ethyl 3-(3-(4-(4-(4-chlorophenoxy)butoxy)phenyl)acryloyl)-4-hydroxybenzoate 

Relevant articles and documents

Pharmacophore identification, synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists

The pharmacophore model (Hypo1) with a well prediction capacity for CysLT1 antagonists was developed using Catalyst/HypoGen program. Virtual screening against an in-house database consisted of carboxylated chalcones using Hypo1 was performed. Retrieved hits 26a, 26b, 27a, and 27b were synthesized and biological evaluated, the results of which demonstrated that these compounds showed moderate to good CysLT1 antagonistic activities. This study indicated that the generated model (Hypo1) is a reliable and useful tool in lead optimization for novel CysLT1 antagonists.