1-N-[(2S)-3-(3,5-difluorophenyl)-1-[5-[2-(3-fluorophenyl)ethynyl]pyridin-2-yl]-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide | 845973-31-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-N-[(2S)-3-(3,5-difluorophenyl)-1-[5-[2-(3-fluorophenyl)ethynyl]pyridin-2-yl]-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
• CAS: 845973-31-1
• 化学式: C₃₇H₃₆F₃N₃O₃
• 分子量: 627.706
• InChiKey: DEZNIOVJOICOAK-SFCXHYMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-N-[(2S)-1-(5-bromopyridin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide 、 1-乙炔基-3-氟苯 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 二异丙胺 作用下， 反应 16.0h， 生成 1-N-[(2S)-3-(3,5-difluorophenyl)-1-[5-[2-(3-fluorophenyl)ethynyl]pyridin-2-yl]-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
  参考文献：
  名称：

  [EN] CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT
  [FR] INHIBITEURS BACE-1 AMINES CYCLIQUES A SUBSTITUANT BENZAMIDE

  摘要：

  公开号：

  WO2005016876A3

文献信息

• CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT
  申请人：Cumming Jared N.

  公开号：US20100152138A1

  公开（公告）日：2010-06-17

  Disclosed are compounds of the formula or a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is R is —C(O)—N(R 27 )(R 28 ) or and the remaining variables are as defined in the specification. Also disclosed are pharmaceutical compositions comprising the compounds of formula I. Also disclosed are methods of treating cognitive or neurodegenerative diseases such as Alzheimer's disease. Also disclosed are pharmaceutical compositions and methods of treating cognitive or neurodegenerative diseases comprising the compounds of formula I in combination with a β-secretase inhibitor other than those of formula I, an HMG-CoA reductase inhibitor, a gamma-secretase inhibitor, a non-steroidal anti-inflammatory agent, an N-methyl-D-aspartate receptor antagonist, a cholinesterase inhibitor or an anti-amyloid antibody.

  本发明揭示了式I的化合物，或其药学上可接受的盐或溶剂，其中R1是R是—C（O）—N（R27）（R28）或，其余变量如规范中所定义。本发明还揭示了包括式I化合物的药物组成物。本发明还揭示了治疗认知或神经退行性疾病，如阿尔茨海默病的方法。本发明还揭示了包括式I化合物的药物组成物和治疗认知或神经退行性疾病的方法，其中该组成物与β-分泌酶抑制剂（非式I的）、HMG-CoA还原酶抑制剂、γ-分泌酶抑制剂、非甾体抗炎药、N-甲基-D-天门冬氨酸受体拮抗剂、胆碱酯酶抑制剂或抗淀粉样蛋白抗体结合使用。
• CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT
  申请人：Pharmacopeia Drug Discovery, Inc.

  公开号：US20140128361A1

  公开（公告）日：2014-05-08

  Disclosed are compounds of the formula or a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is R is —C(O)—N(R 27 )(R 28 ) or and the remaining variables are as defined in the specification. Also disclosed are pharmaceutical compositions comprising the compounds of formula I. Also disclosed are methods of treating cognitive or neurodegenerative diseases such as Alzheimer's disease. Also disclosed are pharmaceutical compositions and methods of treating cognitive or neurodegenerative diseases comprising the compounds of formula I in combination with a β-secretase inhibitor other than those of formula I, an HMG-CoA reductase inhibitor, a gamma-secretase inhibitor, a non-steroidal anti-inflammatory agent, an N-methyl-D-aspartate receptor antagonist, a cholinesterase inhibitor or an anti-amyloid antibody.

  本发明涉及以下公式的化合物，或其药学上可接受的盐或溶剂： 其中，R1是R为—C（O）—N（R27）（R28）或 其余变量如规范中所定义。 本发明还涉及包括公式I化合物的制药组合物。 本发明还涉及治疗认知或神经退行性疾病（如阿尔茨海默病）的方法。 本发明还涉及包括公式I化合物与β-分泌酶抑制剂、HMG-CoA还原酶抑制剂、γ-分泌酶抑制剂、非甾体抗炎药、N-甲基-D-天门冬氨酸受体拮抗剂、胆碱酯酶抑制剂或抗淀粉样蛋白抗体组合的治疗认知或神经退行性疾病的制药组合物和方法。
• ALKYNYLPYRIDINE-SUBSTITUTED AMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP3109234A1

  公开（公告）日：2016-12-28

  Provided is a novel pesticide, particularly a fungicide and a nematicide. An alkynyl pyridine-substituted amide compound represented by formula (I), its N-oxide or a salt thereof, and a pesticide containing it. [In the formula, G1 is a structure represented by G1-1a, G1-3a, G1-27a, etc.; X1 is a halogen atom, difluoromethyl, trifluoromethyl, etc.; Y1 is a halogen atom, etc.; Y2, Y3, R4 and R5 independently represent a hydrogen atom, etc.; R1 is a hydrogen atom, a halogen atom, methyl, methoxy, etc.; R2 is a hydrogen atom, a halogen atom, etc., or R1 and R2 together form an alkylene chain thereby to form a cyclopropyl group together with the carbon atom to which R1 and R2 are bonded, or R1 and R2 together form C1-C2 alkylidene or C1-C2 haloalkylidene; R3 is a hydrogen atom, methyl, etc.; and R6 is C1-C4 alkyl, C3-C6 cycloalkyl, C1-C4 alkoxy(C1-C4)alkyl, etc.]

  本发明提供了一种新型农药，特别是一种杀真菌剂和杀线虫剂。一种由式（I）代表的炔基吡啶取代酰胺化合物、其 N-氧化物或其盐，以及一种含有该化合物的农药。[式中，G1 是由 G1-1a、G1-3a、G1-27a 等代表的结构；X1 是卤素原子、二氟甲基、三氟甲基等；Y1 是卤素原子等；Y2、Y3、R4 和 R5 独立地代表氢原子等；R1 是氢原子、卤素原子、甲基、甲氧基等；R2 是氢原子、卤素原子等、或 R1 和 R2 一起形成亚烷基链，从而与 R1 和 R2 键合的碳原子一起形成环丙基，或 R1 和 R2 一起形成 C1-C2 亚烷基或 C1-C2 卤代亚烷基；R3 是氢原子、甲基等；R6 是 C1-C4 烷基、C3-C6 环烷基、C1-C4 烷氧基（C1-C4）烷基等。］
• Alkynyl pyridine-substituted amide compound and pesticide
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US10029986B2

  公开（公告）日：2018-07-24

  Provided is a novel pesticide, particularly a fungicide and a nematicide. An alkynyl pyridine-substituted amide compound represented by formula (I), its N-oxide or a salt thereof, and a pesticide containing it. [In the formula, G1 is a structure represented by G1-1a, G1-3a, G1-27a, etc.; X1 is a halogen atom, difluoromethyl, trifluoromethyl, etc.; Y1 is a halogen atom, etc.; Y2, Y3, R4 and R5 independently represent a hydrogen atom, etc.; R1 is a hydrogen atom, a halogen atom, methyl, methoxy, etc.; R2 is a hydrogen atom, a halogen atom, etc., or R1 and R2 together form an alkylene chain thereby to form a cyclopropyl group together with the carbon atom to which R1 and R2 are bonded, or R1 and R2 together form C1-C2 alkylidene or C1-C2 haloalkylidene; R3 is a hydrogen atom, methyl, etc.; and R6 is C1-C4 alkyl, C3-C6 cycloalkyl, C1-C4 alkoxy(C1-C4)alkyl, etc.]

  本发明提供了一种新型农药，特别是一种杀真菌剂和杀线虫剂。一种由式（I）代表的炔基吡啶取代酰胺化合物、其 N-氧化物或其盐，以及一种含有该化合物的农药。[式中，G1 是由 G1-1a、G1-3a、G1-27a 等代表的结构；X1 是卤素原子、二氟甲基、三氟甲基等；Y1 是卤素原子等；Y2、Y3、R4 和 R5 独立地代表氢原子等；R1 是氢原子、卤素原子、甲基、甲氧基等；R2 是氢原子、卤素原子等、或 R1 和 R2 一起形成亚烷基链，从而与 R1 和 R2 键合的碳原子一起形成环丙基，或 R1 和 R2 一起形成 C1-C2 亚烷基或 C1-C2 卤代亚烷基；R3 是氢原子、甲基等；R6 是 C1-C4 烷基、C3-C6 环烷基、C1-C4 烷氧基（C1-C4）烷基等。］
• ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20170008847A1

  公开（公告）日：2017-01-12

  Provided is a novel pesticide, particularly a fungicide and a nematicide. An alkynyl pyridine-substituted amide compound represented by formula (I), its N-oxide or a salt thereof, and a pesticide containing it. [In the formula, G 1 is a structure represented by G 1 -1a, G 1 -3a, G 1 -27a, etc.; X 1 is a halogen atom, difluoromethyl, trifluoromethyl, etc.; Y 1 is a halogen atom, etc.; Y 2 , Y 3 , R 4 and R 5 independently represent a hydrogen atom, etc.; R 1 is a hydrogen atom, a halogen atom, methyl, methoxy, etc.; R 2 is a hydrogen atom, a halogen atom, etc., or R 1 and R 2 together form an alkylene chain thereby to form a cyclopropyl group together with the carbon atom to which R 1 and R 2 are bonded, or R 1 and R 2 together form C 1 -C 2 alkylidene or C 1 -C 2 haloalkylidene; R 3 is a hydrogen atom, methyl, etc.; and R 6 is C 1 -C 4 alkyl, C 3 -C 6 cycloalkyl, C 1 -C 4 alkoxy(C 1 -C 4 )alkyl, etc.]