ethyl 4-[4-(hydroxymethyl)-1-piperidyl]benzoate | 508234-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: ethyl 4-[4-(hydroxymethyl)-1-piperidyl]benzoate
• 英文别名: ethyl 4-(4-(hydroxymethyl)piperidin-1-yl)benzoate；ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]benzoate
• CAS: 508234-07-9
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: LYPVQNSTCDOHDP-UHFFFAOYSA-N

物化性质

• 沸点：
  427.9±20.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-[4-(hydroxymethyl)-1-piperidyl]benzoate 在 sodium hydroxide 、 2-碘酰基苯甲酸 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 (2S)-2-{[4-(4-{[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}-ethyl)amino]methyl}piperidin-1-yl)benzoyl]amino}-3-phenylpropanoic acid
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 2: Arylethanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of beta(3) adrenoreceptor agonists based on a novel template derived from 4-aminomethylpiperidine coupled with a common pharmacophore, arylethylamine, is described. This combination led to the identification of human beta(3) adrenoreceptor agonists with in vivo activity in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00608-x
• 作为产物：
  描述：

  4-哌啶甲醇 、 对氟苯甲酸乙酯 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 以1 g的产率得到ethyl 4-[4-(hydroxymethyl)-1-piperidyl]benzoate
  参考文献：
  名称：

  E3泛素连接酶CDC20的配体化合物及其应用

  摘要：

  本发明公开了一种E3泛素连接酶CDC20的配体化合物及其应用。本发明的E3泛素连接酶CDC20的配体化合物为如式I所示的化合物：PTM―L―CLM。本发明的PROTAC分子通过E3连接酶APCCdC20将目标靶蛋白标记为泛素化蛋白，实现了特异性地降解靶蛋白，具有良好的应用前景。

  公开号：

  CN117736151A

文献信息

• CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME
  申请人：Arvinas, Inc.

  公开号：US20180215731A1

  公开（公告）日：2018-08-02

  The description relates to cereblon E3 ligase binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present disclosure. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

  该描述涉及cereblon E3连接酶结合化合物，包括包含相同成分的双功能化合物，这些化合物作为靶向泛素化的调节剂具有实用价值，尤其是抑制剂，可降解和/或以其他方式抑制根据本公开的双功能化合物。特别是，该描述提供了化合物，其一端含有与cereblon E3泛素连接酶结合的配体，另一端含有与目标蛋白结合的部分，使目标蛋白位于泛素连接酶附近以降解（和抑制）该蛋白。可以合成表现出广泛药理活性的化合物，与几乎所有类型的靶向多肽的降解/抑制一致。
• E3泛素连接酶CDC20的配体化合物及其应用
  申请人：南京奥瑞药业有限公司

  公开号：CN117736151A

  公开（公告）日：2024-03-22

  本发明公开了一种E3泛素连接酶CDC20的配体化合物及其应用。本发明的E3泛素连接酶CDC20的配体化合物为如式I所示的化合物：PTM―L―CLM。本发明的PROTAC分子通过E3连接酶APCCdC20将目标靶蛋白标记为泛素化蛋白，实现了特异性地降解靶蛋白，具有良好的应用前景。
• WO2008/53131
  申请人：——

  公开号：——

  公开（公告）日：——
• HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION
  申请人：Université de Montréal

  公开号：EP3371196B1

  公开（公告）日：2021-10-27
• HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE
  申请人：Moffat David Festus Charles

  公开号：US20100317678A1

  公开（公告）日：2010-12-16

  Compounds of formula (I), and salts, N-oxides, hydrates and solvates thereof are histone deacetylase inhibitors and are useful in the treatment of cell proliferative diseases, including cancers: wherein Q, V and W independently represent —N═ or —C═; B is a divalent radical selected from (B1), (B2), (B3), (B4), (B5) and (B6). wherein the bond marked * is linked to the ring containing Q, V and W through -[Linker1]- and the bond marked ** is linked to A through -[Linker2]-; A is an optionally substituted mono-, bi- or tri-cyclic carbocyclic or heterocyclic ring system; -[Linker1]- and -[Linker2]- independently represent a bond, or a divalent linker radical; and R is (a) a radical of formula R 1 R 2 CHNH—Y-L 1 -X 1 —(CH 2 ) z — or (b) a radical of formula R-L 1 -Y 1 —(CH 2 ) z —,