389140-48-1

Basic information

• Product Name: Propanedioic acid, [cis-4-[[[4-[(1E)-2-[[(6-methoxy-6-oxohexyl)(5-methylhexyl)amino]sulfonyl ]ethenyl]phenyl]amino]carbonyl]cyclohexyl]-, diethyl ester
• CAS NO: 389140-48-1
• Molecular Formula: C36H56N2O9S
• Molecular Weight: 692.915
• Mol File: 389140-48-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Propanedioic acid, [cis-4-[[[4-[(1E)-2-[[(6-methoxy-6-oxohexyl)(5-methylhexyl)amino]sulfonyl ]ethenyl]phenyl]amino]carbonyl]cyclohexyl]-, diethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedioic acid, [cis-4-[[[4-[(1E)-2-[[(6-methoxy-6-oxohexyl)(5-methylhexyl)amino]sulfonyl ]ethenyl]phenyl]amino]carbonyl]cyclohexyl]-, diethyl ester(389140-48-1)
• EPA Substance Registry System: Propanedioic acid, [cis-4-[[[4-[(1E)-2-[[(6-methoxy-6-oxohexyl)(5-methylhexyl)amino]sulfonyl ]ethenyl]phenyl]amino]carbonyl]cyclohexyl]-, diethyl ester(389140-48-1)

Safety Data

• Hazardous Substances Data: 389140-48-1(Hazardous Substances Data)

Upstream product

• 389140-33-4 p-methoxybenzyl 4-oxo-1-cyclohexanecarboxylate 
• 389140-34-5 p-methoxybenzyl 4-bis-ethoxycarbonylmethylene-1-cyclohexanecarboxylate 
• 17159-79-4 ethyl 4-oxocyclohexane-1-carboxylate 
• 3618-04-0 4-hydroxycyclohexyl carboxylic acid ethyl ester 
• 874-61-3 4-oxocyclohexanecarboxylic acid 
• 389140-35-6 cis-4-bis-ethoxycarbonylmethyl-1-cyclohexanecarboxylic acid 

Relevant articles and documents

Design and synthesis of non-peptidic inhibitors for the Syk C-terminal SH2 domain based on structure-based in-silico screening

Structure-based in-silico screening was carried out for the Syk C-terminal SH2 domain. Fragments that could interact with the pY or pY+1 pockets were selected by our in-silico screening. After tethering two fragments bound to these pockets, we have designed and synthesized new compounds that show favorable interaction with the pY+3 pocket. One such compound, having a cyclohexylmalonic acid moiety identified as a novel potent phosphotyrosyl mimetic, exhibited an affinity comparable to that of the monophosphorylated ligand peptide.