5-(3-chloro-4-methoxyphenyl)-3-(indolin-5-yl)-1,2,4-oxadiazole | 1221257-39-1

• 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-4-methoxyphenyl)-3-(indolin-5-yl)-1,2,4-oxadiazole
• 英文别名: 5-(3-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
• CAS: 1221257-39-1
• 化学式: C₁₇H₁₄ClN₃O₂
• 分子量: 327.77
• InChiKey: CZRWIASFJWBKBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(3-chloro-4-methoxyphenyl)-3-(indolin-5-yl)-1,2,4-oxadiazole 生成 4-(5-(5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl)indolin-1-yl)-4-oxobutanoic acid
  参考文献：
  名称：

  Discovery and characterization of potent and selective 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl)butanoic acids as S1P1 agonists

  摘要：

  S1P(1) receptor driven lymphopenia has proven utility in the treatment of an array of autoimmune disease states. As a part of our efforts to develop potent and selective S1P(1) receptor agonists, we have identified a novel chemical series of 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl) butanoic acid S1P(1) receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.110
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 5-(3-chloro-4-methoxyphenyl)-3-(indolin-5-yl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Discovery and characterization of potent and selective 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl)butanoic acids as S1P1 agonists

  摘要：

  S1P(1) receptor driven lymphopenia has proven utility in the treatment of an array of autoimmune disease states. As a part of our efforts to develop potent and selective S1P(1) receptor agonists, we have identified a novel chemical series of 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl) butanoic acid S1P(1) receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.110

文献信息

• [EN] S1P RECEPTORS MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS S1P
  申请人：AKAAL PHARMA PTY LTD

  公开号：WO2010042998A1

  公开（公告）日：2010-04-22

  The invention relates to novel compounds that have S1P receptor modulating activity and, preferably, apoptotic activity and/or anti proliferative activity against cancer cells and other cell types. Further, the invention relates to a pharmaceutical comprising at least one compound of the invention for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression, for example, cancer. A further aspect of the invention relates to the use of a pharmaceutical comprising at least one compound of the invention for the manufacture of a medicament for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression such as cancer.

  该发明涉及具有S1P受体调节活性的新化合物，最好具有对癌细胞和其他细胞类型具有凋亡活性和/或抗增殖活性。此外，该发明涉及包含该发明中至少一种化合物的药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，例如癌症。该发明的另一个方面涉及使用包含该发明中至少一种化合物的药物制备药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，如癌症。
• S1P Receptors Modulators
  申请人：Grobelny Damian W.

  公开号：US20120034270A1

  公开（公告）日：2012-02-09

  The invention relates to novel compounds that have S1P receptor modulating activity and, preferably, apoptotic activity and/or anti proliferative activity against cancer cells and other cell types. Further, the invention relates to a pharmaceutical comprising at least one compound of the invention for the treatment of diseases and/or conditions caused by or associated with in-appropriate S1P receptor modulating activity or expression, for example, cancer. A further aspect of the invention relates to the use of a pharmaceutical comprising at least one compound of the invention for the manufacture of a medicament for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression such as cancer.

  本发明涉及一种具有S1P受体调节活性的新化合物，优选具有凋亡活性和/或抗癌细胞和其他细胞类型增殖活性。此外，本发明涉及一种药物，包括本发明中至少一种化合物，用于治疗由于或与不适当的S1P受体调节活性或表达相关的疾病和/或状况，例如癌症。本发明的另一方面涉及使用包括本发明中至少一种化合物的药物制造药物，用于治疗由于或与不适当的S1P受体调节活性或表达相关的疾病和/或状况，例如癌症。
• S1P receptors modulators
  申请人：Grobelny Damian W.

  公开号：US09181182B2

  公开（公告）日：2015-11-10

  The invention relates to novel compounds that have S1P receptor modulating activity and, preferably, apoptotic activity and/or anti proliferative activity against cancer cells and other cell types. Further, the invention relates to a pharmaceutical comprising at least one compound of the invention for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression, for example, cancer. A further aspect of the invention relates to the use of a pharmaceutical comprising at least one compound of the invention for the manufacture of a medicament for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression such as cancer.

  本发明涉及一种具有S1P受体调节活性的新化合物，优选具有凋亡活性和/或针对癌细胞和其他细胞类型的抗增殖活性。此外，本发明还涉及一种制药组合物，其中至少包含本发明中的一种化合物，用于治疗由于不恰当的S1P受体调节活性或表达引起或与之相关的疾病和/或病况，例如癌症。本发明的另一个方面涉及使用至少包含本发明中的一种化合物的制药组合物制备药物，用于治疗由于不恰当的S1P受体调节活性或表达引起或与之相关的疾病和/或病况，例如癌症。
• S1P RECEPTORS MODULATORS
  申请人：Akaal Pharma Pty Ltd

  公开号：EP2344446A1

  公开（公告）日：2011-07-20
• US9181182B2
  申请人：——

  公开号：US9181182B2

  公开（公告）日：2015-11-10