2223029-34-1

Basic information

• Product Name: ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole-2-carboxylate
• CAS NO: 2223029-34-1
• Molecular Weight: 283.156
• Mol File: 2223029-34-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole-2-carboxylate(2223029-34-1)
• EPA Substance Registry System: ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole-2-carboxylate(2223029-34-1)

Safety Data

• Hazardous Substances Data: 2223029-34-1(Hazardous Substances Data)

Upstream product

• 1202237-88-4 5-bromothiazole-2-carboxylic acid ethyl ester 
• 73183-34-3 bis(pinacol)diborane 

Relevant articles and documents

Dynamics-Based Discovery of Novel, Potent Benzoic Acid Derivatives as Orally Bioavailable Selective Estrogen Receptor Degraders for ERα+ Breast Cancer

The estrogen receptor α (ERα) is identified as an effective target for the treatment of ERα+ breast cancer; thus, discovery of novel selective estrogen receptor degraders (SERDs) are developed as an effective method to overcome the resistance of breast cancer. Herein, the hot-spot residues for protein-ligand interaction between SERDs and ERα are analyzed by molecular dynamic simulation technology, focusing on the hot-spot residues for four series of designed and synthesized SERDs. SAR studies revealed that while the acrylic acid moiety of AZD9496 is scaffold hopping into benzoic acid, compound D24 exhibits potent binding affinity with ERα, good degradation efficacy of ERα, and inhibitory effect against the MCF-7 breast cancer cell line. Besides, D24 also displays good antitumor efficacy in the MCF-7 human breast cancer xenograft model in vivo, favorable pharmacokinetic properties, excellent druggability, and good safety property, making D24 as a promising drug candidate of SERD for further evaluation.