[2-[3-[6-[[4-(Trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-1-ylidene]methanediamine;chloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [2-[3-[6-[[4-(Trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-1-ylidene]methanediamine;chloride
• 英文别名: [2-[3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-1-ylidene]methanediamine;chloride
• 化学式: C25H23ClF3N5O2
• 分子量: 517.9
• InChiKey: AGKWEAMVXLGQKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.94
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Sphingosine kinase inhibitors
  申请人：University of Virginia Patent Foundation

  公开号：US10100022B2

  公开（公告）日：2018-10-16

  Sphingosine kinases are enzymes that catalyze the biosynthesis of sphingosine-1-phosphate. The invention provides compounds that are effective for inhibition of sphingosine kinase type 1, sphingosine kinase type 2, or both. Certain compounds are selective for sphingosine kinase type 2 relative to sphingosine kinase type 1. Compounds of the invention can be used in treatment of a range of diseases wherein increasing the level of sphingosine-1-phosphate in blood is medically indicated. Diseases that can be treated by administration of an effective dose of a compound of the invention include a neoplastic disease that involves excess vascular growth; macular degeneration or diabetic retinopathy; an allergic disease such as asthma, an inflammatory disease of the eye such as uveitis, scleritis, or vitritis; an inflammatory disease of the kidney; a fibrotic disease; atherosclerosis; or pulmonary arterial hypertension. A compound of the invention can be used to improve the integrity of a vascular barrier in a disease where the vascular barrier is disrupted, such as cancer or Alzheimer's disease.

  鞘氨醇激酶是催化 1-磷酸鞘氨醇生物合成的酶。本发明提供的化合物可有效抑制鞘氨醇激酶 1 型、鞘氨醇激酶 2 型或两者。相对于 1 型鞘氨醇激酶，某些化合物对 2 型鞘氨醇激酶具有选择性。本发明的化合物可用于治疗一系列疾病，在这些疾病中，提高血液中鞘磷脂-1-磷酸的水平具有医学意义。可通过施用有效剂量的本发明化合物治疗的疾病包括：涉及血管过度生长的肿瘤性疾病；黄斑变性或糖尿病视网膜病变；过敏性疾病，如哮喘；眼部炎症性疾病，如葡萄膜炎、巩膜炎或玻璃体炎；肾脏炎症性疾病；纤维化疾病；动脉粥样硬化；或肺动脉高压。本发明的化合物可用于改善血管屏障被破坏的疾病（如癌症或阿尔茨海默病）中血管屏障的完整性。
• SPHINGOSINE KINASE INHIBITORS
  申请人：LYNCH Kevin R.

  公开号：US20170298032A1

  公开（公告）日：2017-10-19

  Sphingosine kinases are enzymes that catalyze the biosynthesis of sphingosine-1-phosphate. The invention provides compounds that are effective for inhibition of sphingosine kinase type 1, sphingosine kinase type 2, or both. Certain compounds are selective for sphingosine kinase type 2 relative to sphingosine kinase type 1. Compounds of the invention can be used in treatment of a range of diseases wherein increasing the level of sphingosine-1-phosphate in blood is medically indicated. Diseases that can be treated by administration of an effective dose of a compound of the invention include a neoplastic disease that involves excess vascular growth; macular degeneration or diabetic retinopathy; an allergic disease such as asthma, an inflammatory disease of the eye such as uveitis, scleritis, or vitritis; an inflammatory disease of the kidney; a fibrotic disease; atherosclerosis; or pulmonary arterial hypertension. A compound of the invention can be used to improve the integrity of a vascular barrier in a disease where the vascular barrier is disrupted, such as cancer or Alzheimer's disease.