1-(3-Ethoxypropyl)piperazine | 1017366-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(3-Ethoxypropyl)piperazine
• CAS: 1017366-43-6
• 化学式: C₉H₂₀N₂O
• 分子量: 172.271
• InChiKey: CYBJZSDUKDAEIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Ethoxypropyl)piperazine 、 (S)-6-methyl-N-(1-(5-oxo-1-phenylpentan-2-ylcarbamoyl)cyclopentyl)benzo[b]thiophene-2-carboxamide 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 6-methylbenzo[b]thiophene-2-carboxylic acid (1-{(S)-1-benzyl-4-[4-(3-ethoxypropyl)piperazin-1-yl]butylcarbamoyl}cyclopentyl)amide
  参考文献：
  名称：

  Structure−Activity Relationships of 6-Methyl-benzo[b]thiophene-2-carboxylic Acid (1-{(S)-1-Benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl}cyclopentyl)amide, Potent Antagonist of the Neurokinin-2 Receptor

  摘要：

  As part of a project aimed at the identification of a series of small, orally available antagonists for the hNK(2) receptor, starting from one of our capped dipeptide libraries, we succeeded in the chemical optimization of the first identified leads, finally producing a class of molecules with significant activity in our animal model after iv administration. We herein report the results of further chemical modifications made to reduce the overall peptide character of this series and the consequent improvement of their in vivo antagonist activity. The present work identified 6-methylbenzo[b]thiophene-2-carboxylic acid (1-{(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl}cyclopentyl)amide (10i), endowed with subnanomolar potency in all the in vitro tests and being highly potent and of long duration upon in vivo testing after both iv and id dosing.

  DOI：

  10.1021/jm100176s

文献信息

• [EN] MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE<br/>[FR] MODULATEURS DU RÉCEPTEUR DES ŒSTROGÈNES DE PROTÉOLYSE ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：ARVINAS INC

  公开号：WO2018140809A1

  公开（公告）日：2018-08-02

  The present disclosure relates to bifunctional compounds, which find utility as modulators of estrogen receptor (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a cereblon, Von Hippel-Lindau ligase-binding moiety, Inhibitors of Apotosis Proteins, or mouse double-minute homolog 2 ligand, which binds to the respective E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为雌激素受体（靶蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端为 cereblon、Von Hippel-Lindau 配体结合基团、凋亡抑制蛋白或鼠双分子同源物 2 配体的双功能化合物，该化合物与相应的 E3 泛素连接酶结合，并且另一端含有结合靶蛋白的基团，使得靶蛋白与泛素连接酶靠近，以实现对靶蛋白的降解（和抑制）。本公开展示了与靶蛋白的降解/抑制相关的广泛药理活性范围。本公开的化合物和组合物用于治疗或预防由靶蛋白聚集或积累导致的疾病或紊乱。
• [EN] BROMODOMAIN TARGETING DEGRONIMERS FOR TARGET PROTEIN DEGRADATION<br/>[FR] DÉGRONIMÈRES CIBLANT UN BROMODOMAINE POUR LA DÉGRADATION DE PROTÉINES CIBLES
  申请人：C4 THERAPEUTICS INC

  公开号：WO2017197056A1

  公开（公告）日：2017-11-16

  This invention provides a Degronimer that has an E3 Ubiquitin Ligase targeting moiety (Degron) that can be linked to a Targeting Ligand for a bromodomain protein selected for in vivo degradation to achieve a therapeutic effect, and methods of use and compositions thereof as well as methods for their preparation.

  这项发明提供了一种Degronimer，它具有可与靶向配体连接的E3泛素连接酶靶向部位（Degron），该靶向配体选择用于体内降解溴结构域蛋白以实现治疗效果，并提供了使用方法、组合物以及它们的制备方法。
• [EN] BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE<br/>[FR] PYRIMIDINES SUBSTITUÉES BIFONCTIONNELLES EN TANT QUE MODULATEURS DU PROTÉOLYSE DE FAK
  申请人：UNIV YALE

  公开号：WO2020023851A1

  公开（公告）日：2020-01-30

  The present disclosure relates to bifunctional compounds, which find utility as modulators of focal adhesion kinase (FAK) or protein tyrosine kinase 2 (PTK2). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hippel-Lindau, cereblon, Inhibitors of Apotosis Proteins or mouse double-minute homolog 2 ligand which binds to the respective E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为调节焦粘附激酶（FAK）或蛋白酪氨酸激酶2（PTK2）的调节剂。具体而言，本公开涉及包含一端为Von Hippel-Lindau、cereblon、凋亡抑制蛋白或鼠双分子同源物2配体的双功能化合物，该配体结合到相应的E3泛素连接酶，另一端为结合目标蛋白的基团，使目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性范围。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• NEW CHEMICAL COMPOUNDS
  申请人：Engelhardt Harald

  公开号：US20120094976A1

  公开（公告）日：2012-04-19

  The present invention encompasses compounds of general formula (1) wherein the groups R 1 to R 4 , Q a , Q b , Q H , L and n are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain such compounds and their use as medicaments.

  本发明涵盖了一般式（1）中的化合物，其中基团R1至R4、Qa、Qb、QH、L和n的定义如权利要求书中所述，这些化合物适用于治疗由细胞过度或异常增殖特征的疾病，包括含有这些化合物的药物制剂以及它们作为药物的用途。
• PYRAZOLOQUINOLINE COMPOUND
  申请人：ASTELLAS PHARMA INC.

  公开号：US20130225553A1

  公开（公告）日：2013-08-29

  The present inventors have investigated a compound which has a PDE9-inhibiting action and is useful as an active ingredient for an agent for treating and/or preventing storage dysfunction, voiding dysfunction, bladder/urethral diseases, and the like, and thus, have found that a pyrazoloquinoline compound has a PDE9-inhibiting action, thereby completing the present invention.

  本发明者已经研究了一种具有PDE9抑制作用的化合物，并且可用作治疗和/或预防储存功能障碍，排尿功能障碍，膀胱/尿道疾病等制剂的活性成分。因此，发现一种吡唑喹啉化合物具有PDE9抑制作用，从而完成了本发明。