2-methyl-4-(4-methyloxazol-2-yl)benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-methyl-4-(4-methyloxazol-2-yl)benzoic acid
• 英文别名: 2-Methyl-4-(4-methyloxazol-2-yl)benzoic acid；2-methyl-4-(4-methyl-1,3-oxazol-2-yl)benzoic acid
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.224
• InChiKey: ZIHBHECPPLLALX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-溴-2-甲基苯甲酸 在 吡啶 、 氯化亚砜 、 lithium hydroxide monohydrate 、 六氯乙烷 、 1,3-双(二苯基膦)丙烷 、 palladium diacetate 、 1-羟基苯并三唑 、 戴斯-马丁氧化剂 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 9.67h， 生成 2-methyl-4-(4-methyloxazol-2-yl)benzoic acid
  参考文献：
  名称：

  NOVEL BENZOAZEPINE DERIVATIVE AND MEDICAL USE THEREOF

  摘要：

  提供具有V2受体激动活性的化合物。提供一种药物组合物，其包含以下通用式(I)所描述的化合物作为活性成分：[R1为以下描述的式子：（A为可以用较低烷基基团取代的较低烷基烃基团；R6为氢原子；R7为羟基、可能用较低烷基基团取代的芳香杂环基团、羰胺基）；R2为氢原子或较低烷基基团；R3为可能用1-3氟原子或卤素原子取代的较低烷基基团；R4为五元芳香单环杂环基团、五元非芳香单环杂环基团（提供每个杂环基团至少含有一个氮原子并且可以用较低烷基基团取代）；R5为较低烷基基团、卤素原子]，或其药理学上可接受的盐。

  公开号：

  US20150291533A1

文献信息

• UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1867639A1

  公开（公告）日：2007-12-19

  Urea derivatives represented by the following general formula (I) : which have an agonism of V2 receptor, are useful as agents for the treatment or prevention of diabetes insipidus, nocturia, nocturnal enuresis, overactive bladder or the like. In the formula, R1 represents a hydrogen atom or a C1-6 alkyl group which may have a substituent, R2 is a hydrogen atom or a C1-6 alkyl group, R3 is a hydrogen atom, a C1-6 alkyl group or the like, R4, R5 and R6 are independently a hydrogen atom, a halogen atom or the like, R7 is a hydrogen atom, a heteroaryl group which may have a substituent, a C3-8 cycloalkyl group, an amino group which may have a substituent or a C1-6 alkoxy group which may have a substituted group, M1 is a single bond, a C1-4 alkylene group or the like, Y is N or CRF (in the formula, and RF represents a hydrogen atom, a C1-6 alkyl group or the like, or pharmaceutically acceptable salts thereof, or prodrugs thereof, or pharmaceutical compositions comprising the same and pharmaceutical uses thereof.

  以下一般公式（I）所代表的尿素衍生物，具有V2受体的激动作用，可用作治疗或预防尿崩症、夜尿、夜间遗尿、膀胱过度活动等药物。在公式中，R1代表氢原子或可能具有取代基团的C1-6烷基；R2是氢原子或C1-6烷基；R3是氢原子、C1-6烷基或其他基团；R4、R5和R6独立地是氢原子、卤素原子或其他基团；R7是氢原子、可能具有取代基团的杂环烷基、C3-8环烷基、可能具有取代基团的氨基或可能具有取代基团的C1-6烷氧基；M1是单键、C1-4烷基或其他基团；Y是N或CRF（在公式中，RF代表氢原子、C1-6烷基或其他基团），或其药学上可接受的盐、前药、包含相同成分的药物组合物及其药用。
• NOVEL BENZOAZEPINE DERIVATIVE AND MEDICAL USE THEREOF
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：US20150291533A1

  公开（公告）日：2015-10-15

  A compound having a V2 receptor agonistic activity is provided. Providing a pharmaceutical composition which contains, as an active ingredient, a compound represented by general formula (I) described below: [R 1 is formula described below: (A is a lower alkylene group which may be substituted with lower alkyl group; R 6 is a hydrogen atom; R 7 is a hydroxyl group, an aromatic heterocyclic group which may be substituted with lower alkyl group, carbamoyl group); R 2 is a hydrogen atom or lower alkyl group; R 3 is lower alkyl group which may be substituted with 1-3 fluorine atoms, or halogen atom; R 4 is a five-membered aromatic monocyclic heterocyclic group, five-membered non-aromatic monocyclic heterocyclic group, (provided each heterocyclic groups contain at least one nitrogen atom and may be substituted with a lower alkyl group); and R 5 is a lower alkyl group, halogen atom], or pharmacologically acceptable salt thereof.

  提供具有V2受体激动活性的化合物。提供一种药物组合物，其包含以下通用式(I)所描述的化合物作为活性成分：[R1为以下描述的式子：（A为可以用较低烷基基团取代的较低烷基烃基团；R6为氢原子；R7为羟基、可能用较低烷基基团取代的芳香杂环基团、羰胺基）；R2为氢原子或较低烷基基团；R3为可能用1-3氟原子或卤素原子取代的较低烷基基团；R4为五元芳香单环杂环基团、五元非芳香单环杂环基团（提供每个杂环基团至少含有一个氮原子并且可以用较低烷基基团取代）；R5为较低烷基基团、卤素原子]，或其药理学上可接受的盐。
• NOVEL BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Sanwa Kagaku Kenkyusho Co., Ltd

  公开号：EP2940008A1

  公开（公告）日：2015-11-04

  An object of the present invention is to provide a compound having a V2 receptor agonistic activity. Provided is a pharmaceutical composition which contains, as an active ingredient, a compound represented by the general formula (I) described below: [wherein R1 is the formula described below: (wherein A is a lower alkylene group which may be substituted with a lower alkyl group, or the like; R6 is a hydrogen atom, or the like; R7 is a hydroxyl group, an aromatic heterocyclic group which may be substituted with a lower alkyl group, a carbamoyl group, or the like) ; R2 is a hydrogen atom or a lower alkyl group; R3 is a lower alkyl group which may be substituted with 1 to 3 fluorine atoms, or a halogen atom; R4 is a five-membered aromatic monocyclic heterocyclic group, a five-membered non-aromatic monocyclic heterocyclic group, or the like, (provided that each of these heterocyclic groups contains at least one nitrogen atom and may be substituted with a lower alkyl group) ; and R5 is a lower alkyl group, a halogen atom, or the like], or a pharmacologically acceptable salt thereof.

  本发明的目的是提供一种具有 V2 受体激动活性的化合物。本发明提供了一种药物组合物，该组合物含有下述通式（I）代表的化合物作为活性成分： [其中 R1 为下述式子： (其中 A 是可被低级烷基或类似基团取代的低级亚烷基；R6 是氢原子或类似基团；R7 是羟基、可被低级烷基取代的芳香杂环基团、氨基甲酰基或类似基团）；R2 是氢原子或低级烷基；R3 是可被 1 至 3 个氟原子或卤原子取代的低级烷基；R4 是五元芳香族单环杂环基团、五元非芳香族单环杂环基团或类似基团（条件是这些杂环基团中的每一个都含有至少一个氮原子，并可被低级烷基取代）；以及 R5 是低级烷基、卤素原子或类似基团]，或其药理学上可接受的盐。
• US9586905B2
  申请人：——

  公开号：US9586905B2

  公开（公告）日：2017-03-07
• TWI643847
  申请人：——

  公开号：——

  公开（公告）日：——