A 3D-Quantitative Structure-Activity Relationship Study of Benzamide Type Serotonin 5-HT_4 Receptor Agonists Based on a Comparative Molecular Field Analysis Model, and the Design and Synthesis of Potent Agonists

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概要

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• A 3D-quantitative structure-activity relationship (3D-QSAR) study was carried out using comparative molecular field analysis (CoMFA) of the 5-HT_4 agonistic activity of benzamide type compounds, which had been already synthesized and reported to show 5-HT_4 agonistic activity. The chosen alignment yielded a good cross-validated result (γ-^2_<cv>=0.628). This CoMFA model was able to predict the 5-HT_4 agonistic activity of three structurally different compounds. Consequently, 5-amino-N-[2-(1-azabicyclo[3.3.0]octan-5-yl)ethyl]-6-chloro-3,4-dihydo-2H-1-benzopyran-8-carboxamide (22) was obtained as the most potent 5-HT_4 agonist.

• 公益社団法人日本薬学会の論文
• 1998-12-15

著者

• KAKIGAMI Takuji

  General Research Park, Sanwa Kagaku Kenkyusho Co., Ltd.,

• USUI Toshinao

  General Research Park, Sanwa Kagaku Kenkyusho Co., Ltd.,

• IKAMI Takao

  General Research Park, Sanwa Kagaku Kenkyusho Co., Ltd.,

• TSUKAMOTO Katsura

  General Research Park, Sanwa Kagaku Kenkyusho Co., Ltd.,

• Tsuruta Nobuaki

  General Research Park Sanwa Kagaku Kenkyusho Co. Ltd.

• Ito T

  Tottori Univ. Tottori Jpn

• Usui Toshinao

  Drug Discovery Research Department Sanwa Kagaku Kenkyusho Co. Ltd.

• Kakigami Takuji

  General Research Park Sanwa Kagaku Kenkyusho Co. Ltd.

関連論文

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• A Convenient and Efficient Synthesis of Sialyl Lewis X
• Synthesis of 2-O-Fucosyl Sulfatide, a Blocker of L- and P-Selectin
• Serotonin 5-HT_4Receptor Agonistic Activity of the Optical Isomers of (±)-4-Amino-N-[2-(1-azabicyclo[3.3.0]octan-5-yl)ethyl]-5-chloro-2,3-dihydro-2-methylbenzo[b]furan-7-carboxamide.
• Serotonin 5-HT_4 Receptor Agonistic Activity of the Optical Isomers of (±)-4-Amino-N-[2-(1-azabicyclo[3.3.0]octan-5-yl)ethyl]-5-chloro-2,3-dihydro-2-methylbenzo[b]furan-7-carboxamide
• Synthesis and Structure-activity Relationship of 3-Substituted Benzamide, Benzo[b]furan-7-carboxamide, 2,3-Dihydrobenzo[b]furan-7-carboxamide, and Indole-5-carboxamide Derivatives as Selective Serotonin 5-HT_4Receptor
• A 3D-Quantitative Structure-Activity Relationship Study of Benzamide Type Serotonin 5-HT_4 Receptor Agonists Based on a Comparative Molecular Field Analysis Model, and the Design and Synthesis of Potent Agonists
• Synthesis and Structure-Activity Relationship of 3-Substituted Benzamide, Benzo[b]furan-7-carboxamide, 2,3-Dihydrobenzo[b]furan-7-carboxamide, and Indole-5-carboxamide Derivatives as Selective Serotonin 5-HT_4 Receptor Agonists
• Transfer-Thermodynamic Quantities and the Hydrophobic Effect
• Synthesis and Muscarinic Activity of a Series of Quinolines and Naphthalenes with a 1-Azabicyclo[3.3.0]octane Moiety

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