[4-(5-甲基-1,2,4-恶二唑-3-基)苯基]甲醇 | 852180-61-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: [4-(5-甲基-1,2,4-恶二唑-3-基)苯基]甲醇
• 英文名称: [4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
• CAS: 852180-61-1
• 化学式: C₁₀H₁₀N₂O₂
• mdl: MFCD07368531
• 分子量: 190.2
• InChiKey: UHBVGEHXKLYGON-UHFFFAOYSA-N

物化性质

• 熔点：
  131 °C
• 沸点：
  367.9±44.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

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

文献信息

• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Plexxikon Inc.

  公开号：US20160176865A1

  公开（公告）日：2016-06-23

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  本文描述了在蛋白激酶上活性化合物，以及使用这些化合物治疗与蛋白激酶异常活动相关的疾病和状况的方法。
• OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS
  申请人：Ahmed Mahmood

  公开号：US20100048639A1

  公开（公告）日：2010-02-25

  The present invention relates to novel oxadiazole compounds of formula (I) having pharmacological activity, pharmaceutical compositions containing them and their use in the treatment of various disorders.

  本发明涉及具有药理活性的新型噁唑烷化合物（I）的制备，包含它们的制药组合物以及它们在治疗各种疾病中的应用。
• SUBSTITUTED PYRAZOLE COMPOUNDS
  申请人：Dyckman Alaric J.

  公开号：US20110275610A1

  公开（公告）日：2011-11-10

  Disclosed are compounds of Formula (I) or a pharmaceutically acceptable salt thereof, wherein: n is zero or an integer selected from 1 through 4; R 1 is cycloalkyl, aryl, heteroaryl, or heterocyclyl, each optionally substituted with one to five substituents independently selected from C 1 to C 6 alkyl, C 1 to C 4 haloalkyl, benzyl, —OR 4 , and/or halogen; and R 2 , R 3 , R 4 , and n are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P 1 , and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  本发明涉及式（I）化合物或其药学上可接受的盐，其中：n为零或选自1至4的整数；R1为环烷基、芳基、杂芳基或杂环基，每个基团可选地被1至5个取自C1至C6烷基、C1至C4卤代烷基、苄基、—OR4和/或卤素的基团独立地取代；并且R2、R3、R4和n如本文所定义。本发明还涉及使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包括这些化合物的制药组合物。这些化合物在多种治疗领域中用于治疗、预防或减缓疾病或障碍的进展，如自身免疫性疾病和血管疾病。
• SUBSTITUTED ISOXAZOLE COMPOUNDS
  申请人：Watterson Scott Hunter

  公开号：US20110300165A1

  公开（公告）日：2011-12-08

  Disclosed are compounds of Formula (I) or pharmaceutically acceptable salts thereof, wherein Q is R 1 is alkyl or aryl, said aryl optionally substituted with one to five substituents independently selected from C 1 to C 6 alkyl, C 1 to C 4 haloalkyl, —OR 4 , and/or halogen; and R 2 , R 3 , R 4 , and n are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P 1 , and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  本发明涉及公式（I）化合物或其药学上可接受的盐，其中Q是R1是烷基或芳基，所述芳基可选择性地被1到5个独立选择的取代基所取代，所述取代基选择自C1到C6烷基，C1到C4卤代烷基，-OR4和/或卤素; R2、R3、R4和n在此被定义。本发明还涉及使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的制药组合物。这些化合物在多种治疗领域中有用，例如自身免疫性疾病和血管疾病的治疗、预防或减缓疾病或障碍的进展。
• SUBSTITUTED HETEROCYCLIC COMPOUNDS
  申请人：Pitts William J.

  公开号：US20120022041A1

  公开（公告）日：2012-01-26

  Disclosed are compounds of Formula (I) or pharmaceutically acceptable salts thereof, wherein Q is R 1 is cycloalkyl, heteroaryl, or heterocyclyl, each optionally substituted with one to five substituents independently selected from C 1 to C 6 alkyl, C 1 to C 4 haloalkyl, —OR 4 , and/or halogen; and R 2 , R 3 , R 4 , and n are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P 1 , and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as vascular disease and autoimmune diseases.

  本发明涉及式（I）的化合物或其药学上可接受的盐，其中Q为R1为环烷基，杂环芳基或杂环基，每个基可选地用1到5个取代基独立地选择自C1到C6烷基，C1到C4卤代烷基，-OR4和/或卤素取代;R2，R3，R4和n在此定义。本发明还涉及将这些化合物用作选择性G蛋白偶联受体S1P1的激动剂的方法，以及包含这些化合物的制药组合物。这些化合物在多种治疗领域中有用，例如血管疾病和自身免疫疾病的治疗，可用于治疗、预防或减缓疾病或障碍的进展。