CD532 | 1639009-81-6

• 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: CD532
• 英文别名: 1-[4-[[4-[(5-Cyclopentyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl]amino]phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
• CAS: 1639009-81-6
• 化学式: C₂₆H₂₅F₃N₈O
• 分子量: 522.533
• InChiKey: GBMIFBVLJSCVJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  120
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-环戊基-1H-吡唑-5-胺 在 potassium acetate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 51.0h， 生成 CD532
  参考文献：
  名称：

  [EN] AURORA KINASE INHIBITORS
  [FR] INHIBITEURS D'AURORA KINASE

  摘要：

  本公开的内容包括用于治疗癌症和调节枢纽A激酶和/或Myc家族蛋白活性的组合物和方法。

  公开号：

  WO2014190207A1

文献信息

• [EN] MODULATORS OF IRE1<br/>[FR] MODULATEURS D'IRE1
  申请人：UNIV CALIFORNIA

  公开号：WO2016022839A1

  公开（公告）日：2016-02-11

  Disclosed herein, inter alia, are compositions and methods for modulating the unfolded protein response.

  本公开的内容包括调节未折叠蛋白应答的组合物和方法。
• [EN] PROTEOLYSIS TARGETING CHIMERA (PROTAC) FOR DEGRADATION OF AURORA A-KINASE<br/>[FR] CHIMÈRE CIBLANT LA PROTÉOLYSE (PROTAC) POUR LA DÉGRADATION DE LA KINASE AURORA A
  申请人：UNIV WUERZBURG J MAXIMILIANS

  公开号：WO2021180787A1

  公开（公告）日：2021-09-16

  The invention concerns a Proteolysis Targeting Chimera (PROTAC) or a pharmaceutically acceptable salt thereof for degradation of Aurora A-kinase in cells of a mammal which PROTAC has the chemical structure AAB-L-E3B, wherein AAB is a binding unit for Aurora A-kinase, L is a linker and E3B is a binding unit for E3-ubiquitin ligase Cereblon, wherein E3B comprises the structure of thalidomide or of one of its analogs lenalidomide, pomalidomide, and apremilast, wherein L comprises or consists of an alkyl ether residue or a polyalkyl ether residue or an alkyl ether residue or a polyalkyl ether residue in which at least one C – C bond is replaced by a C = C double bond, which polyalkyl ether residue has at least two ether groups or at least two ether groups in which one O-atom is replaced by an S-atom or a part of the O-atoms is replaced by S-atoms or wherein L comprises or consists of an alkyl thioether residue or a polyalkyl thioether residue or an alkyl thioether residue or a polyalkyl thioether residue in which at least one C – C bond is replaced by a C = C double bond, which polyalkyl thioether residue has at least two thioether groups, wherein L connects AAB and E3B via a chain of atoms having five to thirteen subsequently arranged atoms, wherein atoms of functional groups connecting the linker with AAB and E3B are not considered as part of said chain.

  本发明涉及一种蛋白酶解靶向嵌合物（PROTAC）或其在哺乳动物细胞中降解Aurora A激酶的药学可接受盐，该PROTAC具有化学结构AAB-L-E3B，其中AAB是与Aurora A激酶结合的单元，L是连接单元，E3B是与E3泛素连接酶Cereblon结合的单元，其中E3B包括沙利度胺的结构或其类似物来那度胺，泊马度胺和阿普利米拉斯的结构之一，其中L包括或由烷基醚残基或聚烷基醚残基或烷基醚残基或聚烷基醚残基组成，其中至少有一个C-C键被C = C双键替换，该聚烷基醚残基具有至少两个醚基团或至少两个醚基团，其中一个O原子被S原子替换或其中一部分O原子被S原子替换，或者L包括或由烷基硫醚残基或聚烷基硫醚残基或烷基硫醚残基或聚烷基硫醚残基组成，其中至少有一个C-C键被C = C双键替换，该聚烷基硫醚残基具有至少两个硫醚基团，其中L通过有五到十三个连续排列的原子的链连接AAB和E3B，其中连接连接器与AAB和E3B的功能基团的原子不被视为该链的一部分。
• AURORA KINASE INHIBITORS
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20160250211A1

  公开（公告）日：2016-09-01

  Disclosed herein inter alia are compositions and methods useful in the treatment of cancer and for modulating the activity of Aurora A kinase and/or a Myc family protein.

  本文中公开了用于治疗癌症和调节极化A激酶和/或Myc家族蛋白活性的组合物和方法等内容。
• PROTEOLYSIS TARGETING CHIMERA (PROTAC) FOR DEGRADATION OF AURORA A-KINASE
  申请人：Julius-Maximilians-Universitaet Wuerzburg

  公开号：EP3878472A1

  公开（公告）日：2021-09-15

  The invention concerns a Proteolysis Targeting Chimera (PROTAC) or a pharmaceutically acceptable salt thereof for degradation of Aurora A-kinase in cells of a mammal which PROTAC has the chemical structure AAB-L-E3B, wherein AAB is a binding unit for Aurora A-kinase, L is a linker and E3B is a binding unit for E3-ubiquitin ligase Cereblon, wherein E3B comprises the structure of thalidomide or of one of its analogs lenalidomide, pomalidomide, and apremilast, wherein L comprises or consists of an alkyl ether residue or a polyalkyl ether residue which polyalkyl ether residue has at least two ether groups or at least two ether groups in which one O-atom is replaced by an S-atom or a part of the O-atoms is replaced by S-atoms or wherein L comprises or consists of an alkyl thioether residue or a polyalkyl thioether residue which polyalkyl thioether residue has at least two thioether groups, wherein L connects AAB and E3B via a chain of atoms having five to seventeen subsequently arranged atoms, wherein atoms of functional groups connecting the linker with AAB and E3B are not considered as part of said chain.

  本发明涉及一种蛋白水解靶向嵌合体（PROTAC）或其药学上可接受的盐，用于降解哺乳动物细胞中的极光A激酶，该PROTAC具有化学结构AAB-L-E3B、其中 AAB 是 Aurora A-kinase 的结合单元，L 是连接体，E3B 是 E3-泛素连接酶 Cereblon 的结合单元，其中 E3B 包括沙利度胺或其类似物来那度胺、泊马度胺和阿普瑞司特之一的结构、其中 L 包括或由烷基醚残基或多烷基醚残基组成，该多烷基醚残基具有至少两个醚基或至少两个醚基，其中一个 O 原子被 S 原子取代或部分 O 原子被 S 原子取代；或者 L 包括或由烷基硫醚残基或多烷基硫醚残基组成，该多烷基硫醚残基具有至少两个硫醚基、其中 L 通过具有 5 至 17 个相继排列的原子的原子链连接 AAB 和 E3B，其中连接连接体与 AAB 和 E3B 的官能团原子不视为所述原子链的一部分。
• Aurora kinase inhibitors
  申请人：The Regents of the University of California

  公开号：US11135222B2

  公开（公告）日：2021-10-05

  Disclosed herein inter alia are compositions and methods useful in the treatment of cancer and for modulating the activity of Aurora A kinase and/or a Myc family protein.

  本文特别公开了用于治疗癌症和调节极光 A 激酶和/或 Myc 家族蛋白活性的组合物和方法。