Carboxymethyl-ethyl-[[4-[4-[[2-(4-fluorophenyl)propan-2-ylamino]methyl]phenyl]phenyl]methyl]-methylazanium

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Carboxymethyl-ethyl-[[4-[4-[[2-(4-fluorophenyl)propan-2-ylamino]methyl]phenyl]phenyl]methyl]-methylazanium
• 英文别名: carboxymethyl-ethyl-[[4-[4-[[2-(4-fluorophenyl)propan-2-ylamino]methyl]phenyl]phenyl]methyl]-methylazanium
• 化学式: C28H34FN2O2+
• 分子量: 449.6
• InChiKey: HGFFDIGJTPMDQX-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• S1P Receptors Modulators and Their Use Thereof
  申请人：Akaal Pharma Pty Ltd.

  公开号：US20140066427A1

  公开（公告）日：2014-03-06

  The invention relates to novel compounds that have SIP 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 SIP 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 SIP receptor modulating activity or expression such as autoimmune response.

  本发明涉及具有SIP受体调节活性的新化合物。此外，本发明还涉及至少包含本发明化合物之一的药物，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/或症状，例如自身免疫反应。本发明的另一个方面涉及使用至少包含本发明化合物之一的药物制造药物，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/或症状，例如自身免疫反应。
• US9193716B2
  申请人：——

  公开号：US9193716B2

  公开（公告）日：2015-11-24