4-bromo-N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)benzene sulfonamide | 1220972-50-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-bromo-N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)benzene sulfonamide
• 英文别名: 4-bromo-N-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)benzenesulfonamide
• CAS: 1220972-50-8
• 化学式: C₁₅H₂₀BrNO₂S
• 分子量: 358.299
• InChiKey: AJIZGZOVUAMJEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)benzene sulfonamide 、 3-丁炔-1-醇 在 氮气 、 Cl2Pd(PPh3)2 、 氯化铵 、 水 、 乙酸乙酯 、 magnesium sulfate 、 SiO2 、 ethyl acetate n-hexane 作用下， 以 N,N-二甲基甲酰胺 、 N,N-二异丙基乙胺 为溶剂， 反应 16.0h， 以to give the product (0.11 g, 60%)的产率得到N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)-4-(4-hydroxybut-1-ynyl)benzene sulfonamide
  参考文献：
  名称：

  S1P receptors modulators and their use thereof

  摘要：

  本发明涉及具有SIP受体调节活性的新化合物。此外，本发明涉及一种药物，该药物包括本发明中的至少一种化合物，用于治疗由不适当的SIP受体调节活性或表达引起或相关的疾病和/或病症，例如自身免疫反应。本发明的另一个方面涉及使用包含本发明中的至少一种化合物的药物制造药物，用于治疗由不适当的SIP受体调节活性或表达引起或相关的疾病和/或病症，如自身免疫反应。

  公开号：

  US09193716B2
• 作为产物：
  描述：

  6,6-二甲基双环[3.1.1]庚烷-2-胺 、 4-溴苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到4-bromo-N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)benzene sulfonamide
  参考文献：
  名称：

  [EN] S1P RECEPTORS MODULATORS AND THEIR USE THEREOF
  [FR] MODULATEURS DES RÉCEPTEURS S1P ET LEUR UTILISATION

  摘要：

  这项发明涉及具有S1P受体调节活性的新化合物。此外，该发明涉及包括本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，例如自身免疫反应。该发明的另一个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，如自身免疫反应。

  公开号：

  WO2010043000A1

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 and Their Use Thereof
  申请人：Gill Gurmit S.

  公开号：US20110318388A1

  公开（公告）日：2011-12-29

  The invention relates to novel compounds that have S1P receptor modulating activity. 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, autoimmune response. 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 autoimmune response.

  本发明涉及具有S1P受体调节活性的新化合物。此外，本发明涉及包括本发明中至少一种化合物的药物，用于治疗由不适当的S1P受体调节活性或表达引起或相关的疾病和/或病情，例如自身免疫反应。本发明的另一个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，用于治疗由不适当的S1P受体调节活性或表达引起或相关的疾病和/或病情，例如自身免疫反应。
• S1P receptors modulators and their use thereof
  申请人：Gill Gurmit S.

  公开号：US08592399B2

  公开（公告）日：2013-11-26

  The invention relates to novel compounds that have S1P receptor modulating activity. 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, autoimmune response. 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 autoimmune response.

  这项发明涉及具有S1P受体调节活性的新化合物。此外，该发明涉及一种制药组合物，该组合物包括本发明中的至少一种化合物，用于治疗由或与不适当的S1P受体调节活性或表达有关的疾病和/或病情，例如自身免疫反应。该发明的另一个方面涉及使用包括本发明中的至少一种化合物的制药组合物制造药物，用于治疗由或与不适当的S1P受体调节活性或表达有关的疾病和/或病情，例如自身免疫反应。
• 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。