(E)-3-[3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylic acid | 870839-63-7

• 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: (E)-3-[3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylic acid
• 英文别名: (E)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
• CAS: 870839-63-7
• 化学式: C₁₃H₁₁FN₂O₂
• 分子量: 246.241
• InChiKey: GGHVFVDNPHBQGF-HWKANZROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-3-[3-fluoro-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 18.0h， 生成 5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid N'-{(E)-3-[3-fluoro-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

• Cinnamide compound
  申请人：Kimura Teiji

  公开号：US20060004013A1

  公开（公告）日：2006-01-05

  The present invention relates to a compound represented by Formula (I): (wherein Ar 1 represents an imidazolyl group which may be substituted with 1 to 3 substituents; Ar 2 represents a pyridinyl group, a pyrimidinyl group, or a phenyl group which may be substituted with 1 to 3 substituents; X 1 represents (1) —C≡C— or (2) a double bond etc. which may be substituted; R 1 and R 2 represent, for example, a C1-6 alkyl group or C3-8 cycloalkyl group which may be substituted) or a pharmacologically acceptable salt thereof and to the use thereof as pharmaceutical agents. The object of the present invention is to find a therapeutic or preventive agent for diseases caused by Aβ. According to the present invention, a therapeutic or preventive agents for diseases caused by Aβ can be provided.

  本发明涉及一种由式（I）表示的化合物：（其中Ar1代表可以被1到3个取代基取代的咪唑基团；Ar2代表可以被1到3个取代基取代的吡啶基团、嘧啶基团或苯基；X1代表（1）-C≡C-或（2）可以被取代的双键等；R1和R2代表，例如，可以被取代的C1-6烷基或C3-8环烷基等）或其药理学上可接受的盐，并且用作药物剂。本发明的目的是寻找一种治疗或预防由Aβ引起的疾病的药剂。根据本发明，可以提供治疗或预防由Aβ引起的疾病的药剂。
• Cinnamide Compound
  申请人：Kimura Teiji

  公开号：US20080070902A1

  公开（公告）日：2008-03-20

  The present invention relates to a compound represented by Formula (I): (wherein Ar 1 represents an imidazolyl group which may be substituted with 1 to 3 substituents; Ar 2 represents a pyridinyl group, a pyrimidinyl group, or a phenyl group which may be substituted with 1 to 3 substituents; X 1 represents (1) —C≡C— or (2) a double bond etc. which may be substituted; R 1 and R 2 represent, for example, a C1-6 alkyl group or C3-8 cycloalkyl group which may be substituted) or a pharmacologically acceptable salt thereof and to the use thereof as pharmaceutical agents.

  本发明涉及一种由公式(I)表示的化合物：（其中Ar1代表一个咪唑基，可以用1到3个取代基取代；Ar2代表一个吡啶基，嘧啶基或苯基，可以用1到3个取代基取代；X1代表（1）-C≡C-或（2）一个双键等，可以用取代基取代；R1和R2代表例如C1-6烷基或C3-8环烷基，可以用取代基取代）或其药学上可接受的盐，并用作制药剂。
• CINNAMIDE COMPOUND
  申请人：KIMURA Teiji

  公开号：US20090281310A1

  公开（公告）日：2009-11-12

  The present invention relates to a process for preparing a compound of formula (6a): wherein Ar 1 represents an imidazolyl group which may be substituted with 1 to 3 substituents shown below; Ar 2 represents a pyridinyl group, a pyrimidinyl group or a phenyl group which may be substituted with 1 to 3 substituents; and R 11 represents a group selected from certain substituents.

  本发明涉及一种制备式（6a）化合物的方法，其中Ar1代表一种咪唑基团，该基团可能被下列1至3个取代基取代；Ar2代表一种吡啶基团、嘧啶基团或苯基团，该基团可能被下列1至3个取代基取代；R11代表从某些取代基中选择的一种基团。
• COMPOUND
  申请人：KIMURA Teiji

  公开号：US20110086860A1

  公开（公告）日：2011-04-14

  A compound represented by Formula (I) is provided: wherein Ar 1 represents an imidazolyl group which may be substituted with 1 to 3 substituents; Ar 2 represents a phenyl group which may be substituted with 1 to 3 substituents; X 1 represents (1) —C≡C— or (2) a double bond etc., which may be substituted; R 1 and R 2 represent, for example, a C1-6 alkyl group which may be substituted, or a pharmacologically acceptable salt thereof and to the use thereof as pharmaceutical agents.

  提供一种由式（I）表示的化合物： 其中Ar1代表一种咪唑基团，该基团可以被1到3个取代基取代；Ar2代表一种苯基团，该基团可以被1到3个取代基取代；X1代表（1）—C≡C—或（2）一个双键等，该双键可以被取代；R1和R2代表例如可以被取代的C1-6烷基或其药物学上可接受的盐，以及其作为制药剂的用途。
• MULTI-CYCLIC CINNAMIDE DERIVATIVES
  申请人：KIMURA Teiji

  公开号：US20100168095A1

  公开（公告）日：2010-07-01

  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.

  本发明提供了一种化合物，其化学式表示为(I)：或其药学上可接受的盐，其中Ar1代表可被C1-6烷基等取代的咪唑基团，Ar2代表可被C1-6烷氧基等取代的苯基团，X1代表双键等，Het代表可被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。