4-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 4-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol
• 化学式: C₂₄H₂₉N₅O₂
• 分子量: 419.5
• InChiKey: NHJOHDKLZNKOGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  76.3
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• PULMONARY HYPERTENSION TREATING AGENT
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160368895A1

  公开（公告）日：2016-12-22

  [Problem] The present invention addresses the problem of providing a compound that is useful for preventing or treating diseases associated with malfunctioning of PGI2 receptors, in particular, pulmonary hypertension. [Solution] A positive allosteric regulator of a PGI2 receptor which comprises a compound represented by formula (1) or a pharmaceutically acceptable salt, hydrate or solvate thereof. (1) (In the formula, R1 is a branched chain or cyclic alkyl or alkenyl having 3 to 10 carbon atoms which may be substituted, R2 is a hydrogen atom or an alkyl having 1 to 6 carbon atoms which may be substituted, R3 is 1 to 4 substituents which are the same or different independently selected from the group consisting of a hydrogen atom, a halogen atom, an alkyl having 1 to 6 carbon atoms which may be substituted, and an alkoxy having 1 to 6 carbon atoms which may be substituted, and A is an aryl which may be substituted or a heteroaryl which may be substituted.)

  [问题] 本发明解决了提供一种化合物的问题，该化合物可用于预防或治疗与PGI2受体功能失调相关的疾病，特别是肺动脉高压。[解决方案] PGI2受体的正向变构调节剂，包括由式（1）表示的化合物或其药用可接受的盐、水合物或溶剂。 (1) （在该式中，R1是具有3到10个碳原子的支链烷基或环烷基，可能被取代，R2是氢原子或具有1到6个碳原子的烷基，可能被取代，R3是1到4个取代基，它们是相同或不同地独立选择自由基团，包括氢原子、卤原子、可能被取代的具有1到6个碳原子的烷基和可能被取代的具有1到6个碳原子的烷氧基，A是可能被取代的芳基或可能被取代的杂环芳基。）
• Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10000511B2

  公开（公告）日：2018-06-19

  This invention relates to compounds which selectively bind to the survival protein MCL-1 with high affinity and selectivity, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for modulating MCL-1 activity and for treating hyperproliferative disorders, angiogenesis disorders, cell cycle regulation disorders, autophagy regulation disorders, inflammatory disorders, and/or infectious disorders and/or for enhancing cellular engraftment and/or wound repair, as a sole agent or in combination with other active ingredients.

  本发明涉及以高亲和力和选择性与存活蛋白 MCL-1 选择性结合的化合物、含有此类化合物的药物组合物，以及使用这些化合物或组合物调节 MCL-1 活性和治疗过度增殖性疾病、血管生成疾病、细胞周期调节疾病、自噬调节疾病、炎症性疾病和/或感染性疾病和/或增强细胞移植和/或伤口修复，可作为单独制剂或与其他活性成分组合使用。
• Chemical entities that kill senescent cells for use in treating age-related disease
  申请人：Unity Biotechnology, Inc.

  公开号：US10195213B2

  公开（公告）日：2019-02-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.

  本文公开的化合物可有效治疗与衰老有关的各种疾病状态。所公开的化合物可用于消除衰老细胞以治疗疾病。化合物的给药方式包括单次给药和循环给药。
• SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS
  申请人：Walensky Loren D.

  公开号：US20130035304A1

  公开（公告）日：2013-02-07

  This invention relates to compounds which selectively bind to the survival protein MCL-1 with high affinity and selectivity, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for modulating MCL-1 activity and for treating hyperproliferative disorders, angiogenesis disorders, cell cycle regulation disorders, autophagy regulation disorders, inflammatory disorders, and/or infectious disorders and/or for enhancing cellular engraftment and/or wound repair, as a sole agent or in combination with other active ingredients.
• COMPOUNDS AND THERAPEUTIC USES
  申请人：Unity Biotechnology, Inc.

  公开号：US20170281649A1

  公开（公告）日：2017-10-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.