cas 3413-59-0, (4-BUTOXYPHENYL)ACETAMIDE | Articles data ｜lookchem

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3413-59-0

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Design of Inhibitors from the Three-Dimensional Structure of Alcohol Dehydrogenase. Chemical Synthesis and Enzymatic Properties
Inhibitors of liver alcohol dehydrogenase were designed from the three-dimensional structure of the enzyme.The ligand to the catalytic zinc ion is an amide group or, better, a formamide group.With the latter function, a hydrogen bond between the NH group and the hydroxyl group of Ser-48 may be formed.The hydrophobic substrate binding site brings structural restraints. α-ω bifunctional molecules show good inhibitory properties possibly due to the interactions with polar residues at the entrance of the substrate binding site.
Freudenreich, Charles,Samama, Jean-Pierre,Biellmann, Jean-Francois
p. 3344 - 3353
(2007/10/02)

Synthesis and pharmacodynamic properties of a new non-morphine analgesic: p-butoxyphenylacetamide
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Buu-Ho?,Lambelin,Mees,Gillet,Thiriaux
p. 4907 - 4910
(2007/10/15)

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Chemical Properties

Melting Point: 185-187 °C
Boiling Point: 384.401 °C at 760 mmHg
Flash Point:186.559 °C
Density: 1.054 g/cm³
Storage Temp.:2-8°C
PKA: 16.27±0.40(Predicted)
PSA: 52.32000
LogP: 2.59360

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