1448365-69-2

Basic information

• Product Name: 11β-(4-bromobenzoyloxy)-15β-hydroxykaur-16-en-19-oic acid
• Synonyms: 11β-(4-bromobenzoyloxy)-15β-hydroxykaur-16-en-19-oic acid
• CAS NO: 1448365-69-2
• Molecular Weight: 517.46
• Mol File: 1448365-69-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 11β-(4-bromobenzoyloxy)-15β-hydroxykaur-16-en-19-oic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 11β-(4-bromobenzoyloxy)-15β-hydroxykaur-16-en-19-oic acid(1448365-69-2)
• EPA Substance Registry System: 11β-(4-bromobenzoyloxy)-15β-hydroxykaur-16-en-19-oic acid(1448365-69-2)

Safety Data

• Hazardous Substances Data: 1448365-69-2(Hazardous Substances Data)

Upstream product

• 66090-34-4 4-bromobenzoyl isothiocyanate 
• 57719-76-3 ent-11α,15α-Dihydroxykaur-16-en-19-oic acid 

Relevant articles and documents

Discovery and structure-activity relationships of ent-Kaurene diterpenoids as potent and selective 11β-HSD1 inhibitors: Potential impact in diabetes

The biological screening of a collection of nature occurring diterpenoids against 11β-HSD1 resulted in the discovery of the lead compound 1b, which pointed to the therapeutic potential for type 2 diabetes. Subsequently, an optimization project was initiated. Starting from compound 1b and its counterpart 2, the hemi-synthesis was performed on kaurenic acid scaffolds yielding 36 derivatives. Further evaluations on both human and mouse 11β-HSD revealed that seven urea derivatives exhibited significant improved potency and selectivity. Especially, the urea 19a has an IC50 (human 11β-HSD1) = 9.4 nM and selectivity index (human 11β-HSD) > 10,649. The 2D and 3D binding models of the complex 19a/11β-HSD1 were generated using docking simulations. Based on the results, the structural-activity relationships (SARs) of compounds 1b and 2 were also discussed.