50563-72-9

Basic information

• Product Name: Ethanol, 2-(2-propenyloxy)-, 4-methylbenzenesulfonate
• CAS NO: 50563-72-9
• Molecular Formula: C12H16O4S
• Molecular Weight: 256.323
• Mol File: 50563-72-9.mol
• Article Data: 18

Chemical Properties

• CAS DataBase Reference: Ethanol, 2-(2-propenyloxy)-, 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanol, 2-(2-propenyloxy)-, 4-methylbenzenesulfonate(50563-72-9)
• EPA Substance Registry System: Ethanol, 2-(2-propenyloxy)-, 4-methylbenzenesulfonate(50563-72-9)

Safety Data

• Hazardous Substances Data: 50563-72-9(Hazardous Substances Data)

Upstream product

• 111-45-5 ethylene glycol monoallyl ether 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 15424-04-1 2-(allyloxy)ethyl bromide 
• 188636-73-9 (2S,4aR,6R,7R,8S,8aS)-7-(2-Allyloxy-ethoxy)-8-benzyloxy-2-phenyl-6-[(1R,2R)-2-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-hexahydro-pyrano[3,2-d][1,3]dioxine 
• 475469-58-0 N,N'-bis-{2-[4-(2-allyloxy-ethoxy)-phenoxy]-ethyl}-isophthalamide 
• 876396-36-0 2-(2-allyloxyethoxy)acetanilide 
• 876396-21-3 methyl 2-(2-allyloxyethoxy)benzoate 
• 920978-37-6 C₂₈H₃₈O₈ 
• 1262899-05-7 N₁,N₃-bis(2-(4-(2-(allyloxy)ethoxy)phenoxy)ethyl)-5-ferrocenylisophthalamide 
• 1616561-41-1 3-(2-(allyloxy)ethyl)-4-(benzyloxy)-1H-indole 
• 309947-41-9 4-[4-(4'-Benzyloxy-2-methylbiphenyl-4-yloxy)-2-oxabutyl]-2,2-dimethyl-1,3-dioxolane 
• 309947-40-8 4-[4-(4-Bromo-3-methylphenyloxy)-2-oxabutyl]-2,2-dimethyl-1,3-dioxolane 
• 309947-39-5 6-(4-Bromo-3-methylphenyloxy)-4-oxahexane-1,2-diol 
• 876396-45-1 C₄₂H₄₆N₄O₁₀ 
• 876396-43-9 N-[2-(2-allyloxy-ethoxy)-phenyl]-2-(2'-{[2-(2-allyloxy-ethoxy)-phenylcarbamoyl]-methoxy}-[1,1']binaphthalenyl-2-yloxy)-acetamide 
• 876396-26-8 C₄₂H₄₈N₂O₁₀ 

Relevant articles and documents

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The FK506-binding protein 51 (FKBP51) emerged as a key player in several diseases like stress-related disorders, chronic pain, and obesity. Linear analogues of FK506 called SAFit were shown to be highly selective for FKBP51 over its closest homologue FKBP52, allowing the proof-of-concept studies in animal models. Here, we designed and synthesized the first macrocyclic FKBP51-selective ligands to stabilize the active conformation. All macrocycles retained full FKBP51 affinity and selectivity over FKBP52 and the incorporation of polar functionalities further enhanced affinity. Six high-resolution crystal structures of macrocyclic inhibitors in complex with FKBP51 confirmed the desired selectivity-enabling binding mode. Our results show that macrocyclization is a viable strategy to target the shallow FKBP51 binding site selectively.

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