3-[4-(4-chlorophenyl)-2-(2-methyl-1-imidazolyl)-5-oxazolyl)propyl methanesulfonate | 198064-57-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[4-(4-chlorophenyl)-2-(2-methyl-1-imidazolyl)-5-oxazolyl)propyl methanesulfonate
• 英文别名: 3-[4-(4-chlorophenyl)-2-(2-methyl-1-imidazolyl)-5-oxazolyl]propyl methanesulfonate；3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propyl methanesulfonate
• CAS: 198064-57-2
• 化学式: C₁₇H₁₈ClN₃O₄S
• 分子量: 395.867
• InChiKey: GOBUCFGRROCXKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  95.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[4-(4-chlorophenyl)-2-(2-methyl-1-imidazolyl)-5-oxazolyl)propyl methanesulfonate 在 吡唑 作用下， 以54%的产率得到4-(4-chlorophenyl)-2-(2-methyl-1-imidazolyl)-5-[3-(1-pyrazolyl)propyl)oxazole
  参考文献：
  名称：

  Oxazole derivatives, their production and use

  摘要：

  一种新的化合物，其化学式如下：其中R1是卤素原子、可选择取代的杂环、羟基、硫醇或氨基团；A是可选择取代的酰基团、可选择取代的杂环基团、可选择取代的羟基团，或可选择酯化或酰胺化的羧基团；B是可选择取代的芳香基团；Y是二价脂肪烃基，或其盐，具有优秀的促进胰岛素分泌和降低血糖的作用，在糖尿病药物中有用。

  公开号：

  US06177452B1

文献信息

• Neurotrophin production secretion promoting agent
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06605629B1

  公开（公告）日：2003-08-12

  A neurotrophin production/secretion promoting agent which comprises an azole derivative of the formula: wherein R1 represents a halogen atom, a heterocyclic group which may optionally be substituted, a hydroxy group which may optionally be substituted, a thiol group which may optionally be substituted, or an amino group which may optionally be substituted; A represents an acyl group which may optionally be substituted, a heterocyclic group which may optionally be substituted, a hydroxy group which may optionally be substituted, or a carboxyl group which may optionally be esterified or amidated; B represents an aromatic group which may optionally be substituted; X represents oxygen atom, sulfur atom, or nitrogen atom which may optionally be substituted; and Y represents a divalent hydrocarbon group or heterocyclic group, or a salt thereof; which is useful as an agent for preventing or treating neuropathy.

  一种促进神经营养素产生/分泌的剂，该剂包括公式的唑衍生物： 其中R1代表卤素原子，可选地被取代的杂环族，可选地被取代的羟基，可选地被取代的巯基，或可选地被取代的氨基；A代表可选地被取代的酰基，可选地被取代的杂环族，可选地被取代的羟基，或可选地被酯化或酰胺化的羧基；B代表可选地被取代的芳香族；X代表氧原子，硫原子或可选地被取代的氮原子；Y代表二价烃基或杂环族，或其盐；该剂用作预防或治疗神经病的剂。
• Vdac regulator
  申请人：Sugiyama Yasuo

  公开号：US20050234116A1

  公开（公告）日：2005-10-20

  The present invention provides a VDAC regulator comprising a compound represented by the formula (I): wherein R 1 is a halogen atom, an optionally substituted heterocyclic group, an optionally substituted hydroxy group, an optionally substituted thiol group or an optionally substituted amino group; A is an optionally substituted acyl group, an optionally substituted heterocyclic group, an optionally substituted hydroxy group or an optionally esterified or amidated carboxyl group; B is an optionally substituted aromatic group; X is an oxygen atom, a sulfur atom or an optionally substituted nitrogen atom; and Y is a divalent hydrocarbon group or heterocyclic group, a salt thereof or a prodrug thereof, which is useful as an agent for the prophylaxis or treatment of Down's syndrome and the like, and the like.

  本发明提供了一种VDAC调节剂，其包含由式（I）表示的化合物：其中，R1是卤素原子、可选取代的杂环基、可选取代的羟基、可选取代的硫醇基或可选取代的氨基；A是可选取代的酰基、可选取代的杂环基、可选取代的羟基或可选酯化或酰胺化的羧基；B是可选取代的芳香基；X是氧原子、硫原子或可选取代的氮原子；Y是二价的烃基或杂环基、其盐或前药，该化合物有用作预防或治疗唐氏综合症等疾病的药物。
• Neurotrophin production/secretion promoting agent
  申请人：Momose Yu

  公开号：US20080269219A1

  公开（公告）日：2008-10-30

  A neurotrophin production/secretion promoting agent which comprises an azole derivative of the formula: wherein R 1 represents a halogen atom, a heterocyclic group which may optionally be substituted, a hydroxy group which may optionally be substituted, a thiol group which may optionally be substituted, or an amino group which may optionally be substituted; A represents an acyl group which may optionally be substituted, a heterocyclic group which may optionally be substituted, a hydroxy group which may optionally be substituted, or a carboxyl group which may optionally be esterified or amidated; B represents an aromatic group which may optionally be substituted; X represents oxygen atom, sulfur atom, or nitrogen atom which may optionally be substituted; and Y represents a divalent hydrocarbon group or heterocyclic group, or a salt thereof; which is useful as an agent for preventing or treating neuropathy.

  一种神经营养因子产生/分泌促进剂，包括式子如下的唑烷衍生物：其中，R1代表卤素原子、可能被取代的杂环基团、可能被取代的羟基、可能被取代的硫基或可能被取代的氨基；A代表可能被取代的酰基、可能被取代的杂环基团、可能被取代的羟基或可能被酯化或酰胺化的羧基；B代表可能被取代的芳香基团；X代表可能被取代的氧原子、硫原子或氮原子；Y代表双价烃基或杂环基团或其盐；该剂可用作预防或治疗神经病变的药剂。
• Thiazole and oxazole VDAC regulator
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07462635B2

  公开（公告）日：2008-12-09

  The present invention provides a VDAC regulator comprising a compound represented by the formula (I): wherein R1 is a halogen atom, an optionally substituted heterocyclic group, an optionally substituted hydroxyl group, an optionally substituted thiol group or an optionally substituted amino group; A is an optionally substituted acyl group, an optionally substituted heterocyclic group, an optionally substituted hydroxyl group or an optionally esterified or amidated carboxyl group; B is an optionally substituted aromatic group; X is an oxygen atom, a sulfur atom or an optionally substituted nitrogen atom; and Y is a divalent hydrocarbon group or heterocyclic group; a salt thereof or a prodrug thereof, which is useful as an agent for the prophylaxis or treatment of Down's syndrome and the like.

  本发明提供了一种VDAC调节剂，其包括由式(I)表示的化合物：其中R1是卤素原子、可选择取代的杂环基、可选择取代的羟基、可选择取代的硫醇基或可选择取代的氨基；A是可选择取代的酰基、可选择取代的杂环基、可选择取代的羟基或可酯化或酰胺化的羧基；B是可选择取代的芳香基；X是氧原子、硫原子或可选择取代的氮原子；Y是二价的烃基或杂环基；其盐或前药，其作为预防或治疗唐氏综合症等疾病的药物是有用的。
• VDAC REGULATOR
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1491194B1

  公开（公告）日：2013-10-30