1-[2-(4-Tert-butyl-2-methylphenoxy)ethyl]pyrrolidine

• 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: 1-[2-(4-Tert-butyl-2-methylphenoxy)ethyl]pyrrolidine
• 化学式: C₁₇H₂₇NO
• 分子量: 261.4
• InChiKey: UXGQGAYTSOWVHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• SOLUBLE GUANYLATE CYCLASE ACTIVATORS
  申请人：Tan John Q.

  公开号：US20130210798A1

  公开（公告）日：2013-08-15

  This inventions relates to compounds having the structure Formula I and pharmaceutically acceptable salts thereof which are soluble guanylate cyclase activators. The compounds are useful for treatment or prevention of cardiovascular diseases, endothelial dysfunction, diastolic dysfunction, atherosclerosis, hypertension, pulmonary hypertension, angina pectoris, thromboses, restenosis, myocardial infarction, strokes, cardiac insufficiency, pulmonary hypertonia, erectile dysfunction, asthma bronchiale, chronic kidney insufficiency, diabetes, or cirrhosis of the liver.

  这项发明涉及具有结构式I的化合物及其可接受的药用盐，这些化合物是可溶性鸟苷酸环化酶激活剂。这些化合物对于治疗或预防心血管疾病、内皮功能障碍、舒张功能障碍、动脉粥样硬化、高血压、肺动脉高压、心绞痛、血栓形成、再狭窄、心肌梗死、中风、心脏功能不全、肺动脉高压、勃起功能障碍、支气管哮喘、慢性肾功能不全、糖尿病或肝硬化方面是有用的。
• 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS
  申请人：Chen Yan

  公开号：US20170369476A1

  公开（公告）日：2017-12-28

  Compounds within the scope of the present invention have a Formula 1 or a salt or prodrug thereof, where ring A is selected from cycloaliphatic; ring B is aryl; R 1 is selected from (C1-C10)alkyl, (C3-C10)cycloalkyl, halo, aryl, and heteroaryl; and R 2 and R 3 are independently selected from hydrogen and (C1-C6)alkyl. Disclosed compounds may have an IRAK4 IC 50 of from 0.003 μM to 3.7 μM; a TAK1 IC 50 of from 0.008 μM to 132 μM; and/or an IRAK4/TAK1 selectivity of from 1 to 450. Particular compounds may have an IRAK4/TAK1 selectivity of from 100 to 500. Disclosed compositions may be formulated as pharmaceutical compositions. A method for using the compounds and/or compositions also are disclosed. The method may comprise administering to a subject an effective amount of a compound within the scope of the present invention, particularly to selectively inhibit IRAK 1 and/or IRAK4 over TAK1.

  本发明范围内的化合物具有公式1或其盐或前药，其中环A选自环状脂肪族化合物；环B为芳基；R1选自（C1-C10）烷基，（C3-C10）环烷基，卤素，芳基和杂环芳基；R2和R3独立地选自氢和（C1-C6）烷基。所披露的化合物的IRAK4 IC50可以从0.003μM到3.7μM；TAK1 IC50可以从0.008μM到132μM；和/或IRAK4/TAK1选择性可以从1到450。特定的化合物的IRAK4/TAK1选择性可以从100到500。所披露的组合物可以制成药物组合物。还披露了使用化合物和/或组合物的方法。该方法可以包括向受试者施用本发明范围内的化合物的有效量，特别是选择性地抑制IRAK 1和/或IRAK4而不影响TAK1。
• 2,4-diamino-pyrimidine compounds and method for making and using the compounds
  申请人：Chen Yan

  公开号：US10710983B2

  公开（公告）日：2020-07-14

  Compounds within the scope of the present invention have a Formula 1 or a salt or prodrug thereof, where ring A is selected from cycloaliphatic; ring B is aryl; R1 is selected from (C1-C10)alkyl, (C3-C10)cycloalkyl, halo, aryl, and heteroaryl; and R2 and R3 are independently selected from hydrogen and (C1-C6)alkyl. Disclosed compounds may have an IRAK4 IC50 of from 0.003 μM to 3.7 μM; a TAK1 IC50 of from 0.008 μM to 132 μM; and/or an IRAK4/TAK1 selectivity of from 1 to 450. Particular compounds may have an IRAK4/TAK1 selectivity of from 100 to 500. Disclosed compositions may be formulated as pharmaceutical compositions. A method for using the compounds and/or compositions also are disclosed. The method may comprise administering to a subject an effective amount of a compound within the scope of the present invention, particularly to selectively inhibit IRAK 1 and/or IRAK4 over TAK1.

  本发明范围内的化合物具有式 1 或其盐或原药，其中环 A 选自环脂族；环 B 是芳基；R1 选自 (C1-C10)烷基、(C3-C10)环烷基、卤代、芳基和杂芳基；以及 R2 和 R3 独立地选自氢和 (C1-C6)烷基。所公开的化合物可具有 0.003 μM 至 3.7 μM 的 IRAK4 IC50；0.008 μM 至 132 μM 的 TAK1 IC50；和/或 1 至 450 的 IRAK4/TAK1 选择性。特定化合物的 IRAK4/TAK1 选择性可为 100 至 500。公开的组合物可配制成药物组合物。还公开了一种使用化合物和/或组合物的方法。该方法可包括向受试者施用有效量的本发明范围内的化合物，特别是选择性抑制IRAK 1和/或IRAK4而不是TAK1。
• US8895583B2
  申请人：——

  公开号：US8895583B2

  公开（公告）日：2014-11-25