5-(3-chloro-phenyl)-[1,2,4]oxadiazole-3-carboxylic acid ethyl ester | 657424-68-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(3-chloro-phenyl)-[1,2,4]oxadiazole-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 5-(3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
• CAS: 657424-68-5
• 化学式: C₁₁H₉ClN₂O₃
• 分子量: 252.657
• InChiKey: ONCZLBBDZXXFEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-(3-chloro-phenyl)-[1,2,4]oxadiazole-3-carboxylic acid ethyl ester 在 二异丁基氢化铝 、 Rochelle's salt 作用下， 以 hexanes 、 二氯甲烷 、 水 为溶剂， 反应 0.67h， 以25%的产率得到5-(3-chloro-phenyl)-[1,2,4]oxadiazole-3-carbaldehyde
  参考文献：
  名称：

  [EN] OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5
  [FR] NOUVEAUX COMPOSES

  摘要：

  公开号：

  WO2004014370A3
• 作为产物：
  描述：

  (3-氯苯甲酰基氨基)-乙酸 在 sodium hydroxide 、 三氯氧磷 作用下， 反应 1.5h， 生成 5-(3-chloro-phenyl)-[1,2,4]oxadiazole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5
  [FR] NOUVEAUX COMPOSES

  摘要：

  公开号：

  WO2004014370A3

文献信息

• New compounds
  申请人：AstraZeneca AB and NPS Pharmaceuticals, Inc.

  公开号：US20040132726A1

  公开（公告）日：2004-07-08

  The present invention relates to new compounds of formula I, 1 wherein P, Q, X 1 , X 2 , X 3 , X 4 , X 4 , R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , m, n, o, p and q are defined as in any one of claims 1 to 12, a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said compounds and to the use of said compounds in therapy.

  本发明涉及公式I的新化合物，其中P、Q、X1、X2、X3、X4、X4、R、R1、R2、R3、R4、R5、R6、R7、m、n、o、p和q如权利要求书1至12中的任一项所定义，以及其制备过程和制备其中的新中间体，含有该化合物的药物配方和在治疗中使用该化合物的用途。
• OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5
  申请人：AstraZeneca AB

  公开号：EP1536790A2

  公开（公告）日：2005-06-08
• [EN] NEW COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2004014370A2

  公开（公告）日：2004-02-19

  The present invention relates to new compounds of formula (I), wherein P, Q, X1, X2, X3, X4, R, R1, R2, R3, R4, R5, R6, R7, m, n, o, p and q are defined as in any one of claims 1 to 12, a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said compounds and to the use of said compounds in therapy. It has been found that the compounds according to the present invention, or salts therof, exhibit a high degree of potency and selectivity for individual metabotropic glutamate receptor (mGluR) subtypes. In particular there are compounds according to the present invention that are potent and selective for the mGluR Group I receptor and more particularly for mGluR5. Thus, it is expected that the compounds of the invention are well suited for the prevention and/or treatment of mGluR5 receptor-mediated disorders such as acute and chronic neurological and psychiatric disorders and chronic and acute pain disorders.
• [EN] OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2004014370A3

  公开（公告）日：2004-10-21