(4-piperazin-1-yl-piperidin-1-yl)-acetic acid ethyl ester | 688020-44-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4-piperazin-1-yl-piperidin-1-yl)-acetic acid ethyl ester
• 英文别名: ethyl (4-piperazin-1-yl-piperidin-1-yl)-acetate；Ethyl 4-(1-piperazinyl)-1-piperidineacetate；ethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
• CAS: 688020-44-2
• 化学式: C₁₃H₂₅N₃O₂
• 分子量: 255.36
• InChiKey: PGYTWTQUVHGEAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-piperazin-1-yl-piperidin-1-yl)-acetic acid ethyl ester 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以60%的产率得到(R)-1-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-2-[4-(1-ethoxycarbonylmethyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate
  参考文献：
  名称：

  Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions

  摘要：

  本发明涉及一般式I的CGRP拮抗剂，其中R1、R2、R3和R4如权利要求1中定义，其互变异构体、异构体、顺反异构体、对映体、水合物、其混合物及其盐以及其盐的水合物，特别是其与无机或有机酸或碱的生理上可接受的盐，以及一般式I的那些化合物，其中一个或多个氢原子被氘取代，含有这些化合物的药物组合物，它们的用途和制备它们的方法。

  公开号：

  US20070049581A1

文献信息

• NOVEL PREPARATION PROCESS
  申请人：Pachur Kathrin

  公开号：US20110071286A1

  公开（公告）日：2011-03-24

  A process for preparing compounds of the formula (I) in which R 1.1 , R 1.2 , R 1.3 and R 2 are as defined in the description.

  一个制备式(I)化合物的过程，其中R1.1、R1.2、R1.3和R2的定义如描述中所述。
• Vitronectin receptor antagonists
  申请人：SmithKline Beecham Corporation

  公开号：US20010034445A1

  公开（公告）日：2001-10-25

  Compounds of formula (I) are disclosed which are vitronectin receptor antagonists useful in the treatment of osteoporosis. 1

  式(I)的化合物被披露，它们是在治疗骨质疏松症中有用的维特龙蛋白受体拮抗剂。
• SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：MUELLER Stephan Georg

  公开号：US20090253680A1

  公开（公告）日：2009-10-08

  The present invention relates to the CGRP-antagonists of general formula I wherein R 1 , R 2 , R 3 and R 4 are defined as in claim 1 , the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates thereof, the mixtures thereof and the salts thereof and the hydrates of the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, as well as those compounds of general formula I wherein one or more hydrogen atoms are replaced by deuterium, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一般式I的CGRP拮抗剂，其中R1、R2、R3和R4如权利要求1所定义，其互变异构体、异构体、对映异构体、立体异构体、水合物、混合物及其盐和其盐的水合物，特别是与无机或有机酸或碱的生理可接受盐，以及其中一个或多个氢原子被氘取代的一般式I化合物，包含这些化合物的制药组合物，它们的用途和制备它们的过程。
• Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions
  申请人：Boehringer Ingelheim International GmbH

  公开号：US07897603B2

  公开（公告）日：2011-03-01

  The present invention relates to the CGRP-antagonists of general formula I wherein R1, R2, R3 and R4 are defined as in claim 1, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates thereof, the mixtures thereof and the salts thereof and the hydrates of the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, as well as those compounds of general formula I wherein one or more hydrogen atoms are replaced by deuterium, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一般式I的CGRP拮抗剂，其中R1、R2、R3和R4如权利要求1所定义，其互变异构体，异构体，对映异构体，对映体，其水合物，其混合物及其盐和其盐的水合物，特别是其与无机或有机酸或碱的生理上可接受的盐，以及那些一般式I的化合物，其中一个或多个氢原子被氘所取代，包含这些化合物的药物组合物，它们的用途和制备它们的过程。
• Compounds and methods for the targeted degradation of bromodomain-containing proteins
  申请人：Arvinas, Inc.

  公开号：US10772962B2

  公开（公告）日：2020-09-15

  The present invention relates to bifunctional compounds, 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 invention. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the 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. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of targeted polypeptides.

  本发明涉及双功能化合物，它们可用作靶向泛素化的调节剂，特别是各种多肽和其他蛋白质的抑制剂，根据本发明的双功能化合物可以降解和/或以其他方式抑制这些多肽和蛋白质。特别是，本发明涉及的化合物一端含有与泛素连接酶结合的 VHL 配体，另一端含有与靶蛋白结合的分子，从而使靶蛋白靠近泛素连接酶，以实现对该蛋白的降解（和抑制）。本发明显示了与根据本发明的化合物相关的广泛药理活性，与降解/抑制靶向多肽一致。