81602-24-6

Basic information

• Product Name: (R)-WB-4101
• CAS NO: 81602-24-6
• Molecular Weight: 345.395
• Mol File: 81602-24-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (R)-WB-4101(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-WB-4101(81602-24-6)
• EPA Substance Registry System: (R)-WB-4101(81602-24-6)

Safety Data

• Hazardous Substances Data: 81602-24-6(Hazardous Substances Data)

Upstream product

• 46049-48-3 (R)-2-((amino)methyl)-1,4-benzodioxane 
• 24251-50-1 2-(2,6-dimethoxyphenoxy)ethyl chloride 
• 164515-27-9 (2S)-1-(2'-benzyloxyphenoxy)-2-tosyloxy-3-benzyloxypropane 
• 164515-26-8 (2S)-1-(2'-benzyloxyphenoxy)-3-benzyloxy-2-propanol 
• 62501-72-8 (R)-2-hydroxymethyl-1,4-benzodioxane 
• 71084-44-1 2-[(R)-1-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)methyl]-isoindole-1,3-dione 
• 62501-73-9 (2S)-2-(hydroxymethyl)-1,4-benzodioxan tosylate 
• 120724-18-7 (2S)-2-(iodomethyl)-1,4-benzodioxane 
• 40515-98-8 2-(2,6-dimethoxyphenoxy)ethylamine 
• 62501-71-7 (R)-2-benzyloxymethyl-2,3-dihydrobenzodioxane 

Relevant articles and documents

Molecular properties of the WB4101 enantiomers and of its chiral methyl derivatives for α1-adrenoceptor recognition

The optical isomers of the well known α1-antagonist WB4101 and of its derivatives with a methyl group in the oxyethyl moiety were prepared for the evaluation of their α-adrenoceptors binding affinity. By means of a detailed computational analysis, the present work shows that the introduction of a methyl group affects the behaviour of WB4101 in different ways. A limitation of the conformational freedom in certain regions of the torsional subspace of the potential energy function, differences in the reactivity of the protonated species towards a model proton acceptor and the quality of the superposition with the rigid template for α1 antagonists, corynanthine, are examined and discussed in order to select a candidate bioactive form and possible features which act as modulators of the recognition process at the α1-adrenoceptors.