4-Bromo-3-(trifluoromethyl)benzenecarboximidamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Bromo-3-(trifluoromethyl)benzenecarboximidamide
• 英文别名: 4-bromo-3-(trifluoromethyl)benzenecarboximidamide
• 化学式: C₈H₆BrF₃N₂
• 分子量: 267.05
• InChiKey: LFVASSCGFVPLIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Sphingosine kinase inhibitor amidoxime prodrugs
  申请人：University of Virginia Patent Foundation

  公开号：US11180489B2

  公开（公告）日：2021-11-23

  Sphingosine kinases are enzymes that catalyze the biosynthesis of sphingosine-1-phosphate. The invention provides prodrugs of compounds that are effective for inhibition of sphingosine kinase type 1, sphingosine kinase type 2, or both, according to formula (I) as described herein. Formula I compounds are useful in the treatment of a range of diseases wherein increasing the level of sphingosine-1-phosphate in blood is medically indicated. The invention also provides pharmaceutical compositions of Formula I compounds.

  鞘氨醇激酶是催化鞘氨醇-1-磷酸的生物合成的酶。本发明提供了有效抑制鞘氨醇激酶 1 型、鞘氨醇激酶 2 型或二者的化合物原药，如本文所述的式 (I)。式 I 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指征。本发明还提供了式 I 化合物的药物组合物。
• SPHINGOSINE KINASE INHIBITORS
  申请人：Virginia Tech Intellectual Properties, Inc.

  公开号：EP3201181B1

  公开（公告）日：2020-12-02
• SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS
  申请人：University of Virginia Patent Foundation

  公开号：US20200308159A1

  公开（公告）日：2020-10-01

  Sphingosine kinases are enzymes that catalyze the biosynthesis of sphingosine-1-phosphate. The invention provides prodrugs of compounds that are effective for inhibition of sphingosine kinase type 1, sphingosine kinase type 2, or both, according to formula (I) as described herein. Formula I compounds are useful in the treatment of a range of diseases wherein increasing the level of sphingosine-1-phosphate in blood is medically indicated. The invention also provides pharmaceutical compositions of Formula I compounds.