(E)-N-[3-(2-bromo-4-fluorophenyl)-2-oxopiperidin-1-yl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylamide | 949168-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (E)-N-[3-(2-bromo-4-fluorophenyl)-2-oxopiperidin-1-yl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylamide
• 英文别名: (E)-N-[3-(2-bromo-4-fluorophenyl)-2-oxopiperidin-1-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
• CAS: 949168-36-9
• 化学式: C₂₅H₂₄BrFN₄O₃
• 分子量: 527.4
• InChiKey: XQWINLMVDFPLEM-UXBLZVDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  76.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  双(2-氧代-3-恶唑烷基)次磷酰氯 、 (E)-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylic acid 、 1-amino-3-(2-bromo-4-fluorophenyl)piperidin-2-one 、 、 水 在 氯化钠 、 magnesium sulfate 、 silica gel 、 甲醇乙酸乙酯 作用下， 以 N,N-二甲基甲酰胺 、 乙酸乙酯 为溶剂， 反应 16.0h， 以to obtain 953 mg of the title compound的产率得到(E)-N-[3-(2-bromo-4-fluorophenyl)-2-oxopiperidin-1-yl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylamide
  参考文献：
  名称：

  Multi-cyclic cinnamide derivatives

  摘要：

  本发明提供一种化合物，其表示为公式（I）：或其药学上可接受的盐，其中Ar1表示咪唑基团，可能被C1-6烷基等取代，Ar2表示苯基团，可能被C1-6烷氧基等取代，X1表示双键等，Het表示咪唑基团，可能被C1-6烷基等取代，该化合物对由Aβ引起的疾病具有治疗或预防作用。

  公开号：

  US07973033B2

文献信息

• MULTI-CYCLIC COMPOUNDS
  申请人：KIMURA Teiji

  公开号：US20090062529A1

  公开（公告）日：2009-03-05

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  一种由化学式(I)表示的化合物或其药理学可接受的盐，其中Ar1代表可用C1-6烷基基团取代的咪唑基团或类似基团，Ar2代表可用C1-6烷氧基团取代的苯基团或类似基团，X1代表双键或类似基团，Het代表可用C1-6烷基基团或类似基团取代的三唑基团或类似基团，对由Aβ引起的疾病具有治疗或预防作用。
• Multi-cyclic cinnamide derivatives
  申请人：Kimura Teiji

  公开号：US20070219181A1

  公开（公告）日：2007-09-20

  The present invention provides a compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, Ar 2 represents a phenyl group that may be substituted with a C1-6 alkoxy group, or the like, X 1 represents a double bond or the like, and Het represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, which is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  本发明提供了一种由以下公式（I）表示的化合物或其药理学上可接受的盐，其中Ar1代表可能用C1-6烷基等取代的咪唑基团，Ar2代表可能用C1-6烷氧基等取代的苯基团，X1代表双键等，Het代表可能用C1-6烷基等取代的咪唑基团，该化合物对由Aβ引起的疾病具有治疗或预防作用。
• IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF
  申请人：KIMURA Teiji

  公开号：US20110065696A1

  公开（公告）日：2011-03-17

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  化合物的化学式为(I)或其药理学上可接受的盐，其中Ar1代表咪唑基团或类似基团，该基团可能被C1-6烷基取代，Ar2代表苯基或类似基团，该基团可能被C1-6烷氧基取代，X1代表双键或类似基团，Het代表三唑基团或类似基团，该基团可能被C1-6烷基或类似基团取代，可用作治疗或预防由Aβ引起的疾病的药物。
• POLYCYCLIC COMPOUND
  申请人：Kimura Teiji

  公开号：US20110009619A1

  公开（公告）日：2011-01-13

  Disclosed is a compound represented by the formula (I): or a pharmacologically acceptable salt thereof, which is effective as a therapeutic or prophylactic agent for a disease induced by Aβ, wherein Ar 1 represents an imidazolyl group which may be substituted with a C1-6 alkyl group, or the like; Ar 2 represents a phenyl group which may be substituted with a C1-6 alkoxy group, or the like; X 1 represents a double bond, or the like; and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, or the like.

  本发明涉及一种化合物，其化学式为(I)：或其药学上可接受的盐，该化合物有效地作为由Aβ引起的疾病的治疗或预防剂。其中，Ar1表示咪唑基，可以用C1-6烷基等取代；Ar2表示苯基，可以用C1-6烷氧基等取代；X1表示双键等；Het表示三唑基等，可以用C1-6烷基等取代。
• Multi-cycle cinnamide derivatives
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07713993B2

  公开（公告）日：2010-05-11

  The present invention provides a compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar1 represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, Ar2 represents a phenyl group that may be substituted with a C1-6 alkoxy group, or the like, X1 represents a double bond or the like, and Het represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, which is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  本发明提供了一种由式(I)所表示的化合物，或其药学上可接受的盐，其中Ar1代表一种咪唑基团，该基团可能被C1-6烷基等取代，Ar2代表一种苯基团，该基团可能被C1-6烷氧基等取代，X1代表双键等，Het代表一种咪唑基团，该基团可能被C1-6烷基等取代，该化合物对由Aβ引起的疾病具有治疗或预防作用。