5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid N'-((Z)-2-fluoro-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acryloyl)hydrazide | 949167-05-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid N'-((Z)-2-fluoro-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acryloyl)hydrazide
• 英文别名: 5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid N'-{(Z)-2-fluoro-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acryloyl}hydrazide；5-chloro-N'-[(Z)-2-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]-2-(3,4,5-trifluorophenyl)pentanehydrazide
• CAS: 949167-05-9
• 化学式: C₂₅H₂₃ClF₄N₄O₃
• 分子量: 538.929
• InChiKey: ZPTSWRSKTVPJOT-ZBKNUEDVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid N'-((Z)-2-fluoro-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acryloyl)hydrazide 以 三氯氧磷 为溶剂， 反应 7.5h， 以to obtain 81 mg of the title compound的产率得到2-[4-chloro-1-(3,4,5-trifluorophenyl)butyl]-5-((Z)-1-fluoro-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl)-[1,3,4]oxadiazole
  参考文献：
  名称：

  MULTI-CYCLIC COMPOUNDS

  摘要：

  化合物的化学式为（I）或其药学上可接受的盐，其中Ar1代表咪唑基团或类似物，可以用C1-6烷基基团取代，Ar2代表苯基团或类似物，可以用C1-6烷氧基取代，X1代表双键或类似物，Het代表三唑基团或类似物，可以用C1-6烷基或类似物取代，可用作治疗或预防由Aβ引起的疾病的药物。

  公开号：

  US20090062529A1
• 作为产物：
  描述：

  (Z)-2-fluoro-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylic acid 、 5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid hydrazide hydrochloride 在 双(2-氧代-3-恶唑烷基)次磷酰氯 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 生成 5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid N'-((Z)-2-fluoro-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acryloyl)hydrazide
  参考文献：
  名称：

  Multi-cyclic cinnamide derivatives

  摘要：

  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。

  公开号：

  US20070219181A1

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。
• Imidazoyl pyridine compounds and salts thereof
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07935815B2

  公开（公告）日：2011-05-03

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X1 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）或其药学上可接受的盐，其中Ar1代表咪唑基团或类似基团，可以用C1-6烷基基团取代，Ar2代表苯基团或类似基团，可以用C1-6烷氧基基团取代，X1代表双键或类似基团，Het代表三唑基团或类似基团，可以用C1-6烷基基团或类似基团取代，对由Aβ引起的疾病具有治疗或预防作用。
• 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。