(Z)-3-Chlor-2-ethyl-2-butenal | 61958-16-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-3-Chlor-2-ethyl-2-butenal
• 英文别名: E-3-Chloro-2-ethyl-but-2-enal；(Z)-3-chloro-2-ethylbut-2-enal
• CAS: 61958-16-5
• 化学式: C₆H₉ClO
• 分子量: 132.59
• InChiKey: REMTVJDIMSEOCW-WAYWQWQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-戊酮 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (Z)-3-Chlor-2-ethyl-2-butenal 、 (E)-3-氯-2-乙基-2-丁烯醛
  参考文献：
  名称：

  Knorr, Rudolf; Weiss, Alfons, Chemische Berichte, 1981, vol. 114, # 6, p. 2104 - 2115

  摘要：

  DOI：

文献信息

• Metabotropic glutamate receptor antagonists
  申请人：——

  公开号：US20040082592A1

  公开（公告）日：2004-04-29

  The present invention concerns compounds of formula. In a preferable embodiment, X represents O; R1 represents C1-6alkyl; cycloC3-12alkyl or (cycloC3-12alkyl)C1-6alkyl, wherein one or more hydrogen atoms in a C1-6alkyl-moiety or in a cycloC3-12alkyl-moiety optionally may be replaced by C1-6alkyloxy, aryl, halo or thienyl; R2 represents hydrogen; halo; C1-6alkyl or amino; R3 and R4 each independently represent hydrogen or C1-6alkyl; or R2 and R3 may be taken together to form —R2-R3-, which represents a bivalent radical of formula -Z4-CH2-CH2-CH2- or -Z4-CH2-CH2- with Z4 being O or NR11 wherein R11 is C1-6alkyl; and wherein each bivalent radical is optionally substituted with C1-6alkyl; or R3 and R4 may be taken together to form a bivalent radical of formula —CH2-CH2-CH2-CH2-; R5 represents hydrogen; Y represents O; and aryl represents phenyl optionally substituted with halo. The invention also relates to the use of a compound according to the invention as a medicament and in the manufacture of a medicament for treating or preventing glutamate-induced diseases of the central nervous system, as well as formulations comprising such a compound and processes for preparing such a compound.

  本发明涉及以下结构的化合物。在一个较好的实施方式中，X代表O；R1代表C1-6烷基；环C3-12烷基或（环C3-12烷基）C1-6烷基，其中C1-6烷基中的一个或多个氢原子或环C3-12烷基中的一个或多个氢原子可以选择性地被C1-6烷氧基，芳基，卤素或噻吩基所取代；R2代表氢；卤素；C1-6烷基或氨基；R3和R4各自独立地代表氢或C1-6烷基；或者R2和R3可以结合形成—R2-R3-，它表示一个式为-Z4-CH2-CH2-CH2-或-Z4-CH2-CH2-的二价基团，其中Z4为O或NR11，其中R11为C1-6烷基；并且每个二价基团可以选择性地被C1-6烷基取代；或者R3和R4可以结合形成一个式为—CH2-CH2-CH2-CH2-的二价基团；R5代表氢；Y代表O；芳基代表苯基，可以选择性地取代卤素。该发明还涉及根据该发明的化合物作为药物的用途以及用于治疗或预防中枢神经系统谷氨酸诱导疾病的药物的制造，以及包含这种化合物的配方和制备这种化合物的方法。
• [EN] METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR MÉTABOTROPE DU GLUTAMATE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2002028837A1

  公开（公告）日：2002-04-11

  The present invention concerns compounds of formula. In a preferable embodiment, X represents O; R1 represents C¿1-6?alkyl; cycloC3-12alkyl or (cycloC3-12alkyl)C1-6alkyl, wherein one or more hydrogen atoms in a C1-6alkyl-moiety or in a cycloC3-12alkyl-moiety optionally may be replaced by C1-6alkyloxy, aryl, halo or thienyl; R?2¿ represents hydrogen; halo; C¿1-6?alkyl or amino; R?3 and R4¿ each independently represent hydrogen or C¿1-6?alkyl; or R?2 and R3¿ may be taken together to form -R2-R3-, which represents a bivalent radical of formula -Z¿4?-CH2-CH2-CH2- or -Z4-CH2-CH2- with Z4 being O or NR?11¿ wherein R11 is C¿1-6?alkyl; and wherein each bivalent radical is optionally substituted with C1-6alkyl; or R?3 and R4¿ may be taken together to form a bivalent radical of formula -CH¿2?-CH2-CH2-CH2- ; R?5¿ represents hydrogen; Y represents O; and aryl represents phenyl optionally substituted with halo. The invention also relates to the use of a compound according to the invention as a medicament and in the manufacture of a medicament for treating or preventing glutamate-induced diseases of the central nervous system, as well as formulations comprising such a compound and processes for preparing such a compound.

  本发明涉及公式化合物。在一种优选实施方式中，X代表O; R1代表C1-6烷基; 环C3-12烷基或(cycloC3-12烷基)C1-6烷基，其中C1-6烷基基团或环C3-12烷基基团中的一个或多个氢原子可以被C1-6烷氧基，芳基，卤素或噻吩基所取代; R2代表氢; 卤素; C1-6烷基或氨基; R3和R4各自独立地代表氢或C1-6烷基; 或者R2和R3可以结合成-R2-R3-，表示公式-Z'4-CH2-CH2-CH2-或-Z4-CH2-CH2-的二价基团，其中Z4为O或NR11，其中R11为C1-6烷基; 并且每个二价基团可以选择地被C1-6烷基所取代; 或者R3和R4可以结合成公式-CH2-CH2-CH2-的二价基团; R5代表氢; Y代表O; 芳基代表苯基，可以选择地被卤素取代。本发明还涉及将该化合物用作药物及其制造药物以治疗或预防中枢神经系统谷氨酸诱导的疾病，以及包括该化合物的制剂和制备该化合物的方法。
• METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1332133A1

  公开（公告）日：2003-08-06
• RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1492571A2

  公开（公告）日：2005-01-05
• Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands
  申请人：Lesage Simone Josephine Anne

  公开号：US20060083676A1

  公开（公告）日：2006-04-20

  The present invention is concerned with radiolabelled quinoline and quinolinone derivatives according Formula (I-A)* or (I-B)* showing metabotropic glutamate receptor antagonistic activity, in particular mGlu1 receptor activity, and their preparation; it further relates to compositions comprising them, as well as their use for marking and identifying metabotropic glutamate receptor sites and for imaging an organ. In a preferable embodiment, X represents O; R 1 represents C 1-6 alkyl; cycloC 3-12 alkyl or (cycloC 3-12 alkyl)C 1-6 alkyl, wherein one or more hydrogen atoms in a C 1-6 alkyl-moiety or in a cycloC 3-12 alkyl-moiety optionally may be replaced by C 1-6 alkyloxy, aryl, halo or thienyl; R 2 represents hydrogen; halo; C 1-6 alkyl or amino; R 3 and R 4 each independently represent hydrogen or C 1-6 alkyl; or R 2 and R 3 may be taken together to form —R 2 —R 3 —, which represents a bivalent radical of formula -Z 4 -CH 2 —CH 2 —CH 2 — or -Z 4 -CH 2 —CH 2 — with Z 4 being O or NR 11 wherein R 11 is C 1-6 alkyl; and wherein each bivalent radical is optionally substituted with C 1-6 alkyl; or R 3 and R 4 may be taken together to form a bivalent radical of formula —CH 2 —CH 2 —CH 2 —CH 2 —; R 5 represents hydrogen; Y represents O; and aryl represents phenyl optionally substituted with halo. Most preferred are radiolabelled compounds in which the radioactive isotope is selected from the group of of 3 H, 11 C and 18 F. The invention also relates to their use in a diagnostic method, in perticular for marking and identifying a mGluR1 receptor in biological material, as well as to their use for imaging an organ, in particular using PET.