5-fluoro-7-[(4-isobutylphenyl)ethynyl]-2H-chromene-3-carbaldehyde | 1228581-37-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 英文名称: 5-fluoro-7-[(4-isobutylphenyl)ethynyl]-2H-chromene-3-carbaldehyde
• 英文别名: 5-Fluoro-7-((4-isobutylphenyl)ethynyl)-2H-chromene-3-carbaldehyde；5-fluoro-7-[2-[4-(2-methylpropyl)phenyl]ethynyl]-2H-chromene-3-carbaldehyde
• CAS: 1228581-37-0
• 化学式: C₂₂H₁₉FO₂
• 分子量: 334.39
• InChiKey: XVFGSYYBZPRYKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [(4-isobutylphenyl)ethynyl](trimethyl)silane 、 5-fluoro-3-formyl-2H-chromen-7-yl trifluoromethanesulfonate 在 无水氯化铜 、 四(三苯基膦)钯 silica gel 、 氯仿 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以to obtain 5-fluoro-7-[(4-isobutylphenyl)ethynyl]-2H-chromene-3-carbaldehyde (83 mg) as a yellow solid的产率得到5-fluoro-7-[(4-isobutylphenyl)ethynyl]-2H-chromene-3-carbaldehyde
  参考文献：
  名称：

  2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF

  摘要：

  提供了一种2H-色烯化合物或其衍生物，具有优异的S1P1激动剂作用。该2H-色烯化合物或衍生物特别适用于预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或堆积引起的疾病。

  公开号：

  US20120178735A1

文献信息

• 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF
  申请人：Harada Hironori

  公开号：US20120178735A1

  公开（公告）日：2012-07-12

  Provided is a 2H-chromene compound or a derivative thereof which has an excellent S1P1 agonist action. The 2H-chromene compound or derivative is particularly useful for preventing and/or treating a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells.

  提供了一种2H-色烯化合物或其衍生物，具有优异的S1P1激动剂作用。该2H-色烯化合物或衍生物特别适用于预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或堆积引起的疾病。
• 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR
  申请人：Astellas Pharma Inc.

  公开号：EP2354134B1

  公开（公告）日：2016-02-24
• US8193378B2
  申请人：——

  公开号：US8193378B2

  公开（公告）日：2012-06-05
• 2H-chromene compound and derivative thereof
  申请人：Astellas Pharma Inc.

  公开号：US08193378B2

  公开（公告）日：2012-06-05

  Provided is a compound which has an excellent S1P1 agonist action, and is useful particularly as an active ingredient for an agent for preventing and/or treating a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells. According to the present invention, a 2H-chromene compound or a derivative thereof which has an excellent S1P1 agonist action, and is useful particularly as an active ingredient of an agent for preventing and/or treating a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells can be provided. The 2H-chromene compound and a derivative thereof which are the compounds of the present invention have an S1P1 agonist action, and can be used particularly for prevention and/or treatment of a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells.

  本发明提供了一种具有出色的S1P1激动剂作用的化合物，特别适用于作为预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或堆积引起的疾病的活性成分。根据本发明，可以提供一种具有出色的S1P1激动剂作用的2H-香豆素化合物或其衍生物，特别适用于作为预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或堆积引起的疾病的活性成分。本发明的化合物2H-香豆素及其衍生物具有S1P1激动剂作用，特别适用于预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或堆积引起的疾病。