ethyl 3-(piperazin-1-yl)propanoate hydrochloride | 496808-06-1

• 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: ethyl 3-(piperazin-1-yl)propanoate hydrochloride
• 英文别名: 4-carboethoxyethyl-1-piperazine hydrochloric acid salt；ethyl 3-piperazin-1-ylpropanoate;hydrochloride
• CAS: 496808-06-1
• 化学式: C₉H₁₈N₂O₂*ClH
• 分子量: 222.715
• InChiKey: PEFTWBQZYFMPLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  41.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3-(piperazin-1-yl)propanoate hydrochloride 在 盐酸 、 氢碘酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 34.5h， 生成 N-methyl-N-(4-(4-phenyl-4-((4-phenyl-4-carboethoxyethylpiperazin-1-yl)carboxamido)piperidin-1-yl)-2-(3,4-dichlorophenyl)butyl)-2-methoxy-5-(1H-tetrazol-1-yl)-benzamide
  参考文献：
  名称：

  CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS

  摘要：

  公开号：

  EP1077942B1
• 作为产物：
  描述：

  3-溴丙酸乙酯 在 盐酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 19.0h， 生成 ethyl 3-(piperazin-1-yl)propanoate hydrochloride
  参考文献：
  名称：

  Alkyl piperidine and piperazine hydroxamic acids as HDAC inhibitors

  摘要：

  We report here the strategy used in our research group to find a new class of histone deacetylase (HDAC) inhibitors.A series of N-substituted 4-alkylpiperazine and 4-alkylpiperidine hydroxamic acids, corresponding to the basic structure of HDAC inhibitors (zinc binding moiety-linker-capping group) has been designed, prepared, and tested for HDAC inhibition.Linker length and aromatic capping group connection were systematically varied to find the optimal geometric parameters. A new series of submicromolar inhibitors was thus identified, which showed antiproliferative activity on HCT-116 colon carcinoma cells. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.085

文献信息

• Carboxy substituted acylic carboxamide derivatives
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06316445B1

  公开（公告）日：2001-11-13

  The present invention relates to novel carboxy substituted acyclic carboxamide derivatives of formula (1)): and stereoisomers and pharmaceutically acceptable salts thereof and their use as tachykinin receptor antagonists. Such antagonists are useful in the treatment of tachykinin-mediated diseases and conditions disclosed herein including: asthma, cough, and bronchitis.

  本发明涉及新型的带有羧基取代的无环羧酰胺衍生物（化学式（1））及其立体异构体和药学上可接受的盐，以及它们作为速激肽受体拮抗剂的用途。这类拮抗剂在治疗包括哮喘、咳嗽和支气管炎在内的速激肽介导的疾病和症状中很有用。
• Compounds and Their Use in Treating Cancer
  申请人：AstraZeneca AB

  公开号：US20190194190A1

  公开（公告）日：2019-06-27

  The specification generally relates to compounds of Formula (I): and pharmaceutically acceptable salts and prodrugs thereof, where R 1 , R 4 , R 5 , R 6 , R 7 , Linker, X, Y, A, G, D and E have any of the meanings defined herein. This specification also relates to the use of such compounds and pharmaceutically acceptable salts and prodrugs thereof in methods of treatment of the human or animal body, for example in prevention or treatment of cancer. This specification also relates to processes and intermediate compounds involved in the preparation of such compounds and to pharmaceutical compositions containing them.

  本说明书一般涉及公式(I)的化合物： 以及药学上可接受的盐和前药，其中R1、R4、R5、R6、R7、Linker、X、Y、A、G、D和E具有此处定义的任何含义。本说明书还涉及将此类化合物以及药学上可接受的盐和前药用于治疗人体或动物体的方法，例如用于预防或治疗癌症。本说明书还涉及制备此类化合物涉及的工艺和中间化合物，以及含有它们的药物组合物。
• 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Genentech, Inc.

  公开号：US20150336962A1

  公开（公告）日：2015-11-26

  Compounds of Formula (00A) and methods of use as Janus kinase inhibitors are described herein.

  这里描述了化合物的公式（00A）及其作为Janus激酶抑制剂的使用方法。
• TRICYCLIC COMPOUND
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1939205A1

  公开（公告）日：2008-07-02

  The present invention relates to tricyclic compounds each represented by the following formula (I): (wherein, R1, R2, R2', R3, R4, X, Y and Z have the same meanings as defined in the specification); and a drug containing the compound. Since the compounds according to the present invention exhibit an excellent squalene synthetase inhibitory effect and cholesterol synthesis inhibitory effect so that they are useful as a drug such as preventive and/or remedy for diseases in mammals including humans such as hyperlipemia, e.g., hypercholesterolemia, hypertriglyceridemia, and low HDL cholesterolemia and/or arteriosclerosis.

  本发明涉及一种三环化合物，每种化合物由以下式（I）表示：（其中，R1、R2、R2'、R3、R4、X、Y和Z的含义与规范中定义的含义相同）；以及含有该化合物的药物。由于根据本发明的化合物表现出优异的角鲨烯合酶抑制作用和胆固醇合成抑制作用，因此它们可用作哺乳动物（包括人类）的疾病预防和/或治疗药物，例如高脂血症，如高胆固醇血症、高甘油三酯血症、低高密度脂蛋白胆固醇血症和/或动脉粥样硬化。
• Design, Synthesis, and Structure–Activity Relationships Study of <i>N</i>-Pyrimidyl/Pyridyl-2-thiazolamine Analogues as Novel Positive Allosteric Modulators of M<sub>3</sub> Muscarinic Acetylcholine Receptor
  作者：Hiroaki Tanaka、Michinori Akaiwa、Kenji Negoro、Eiji Kawaminami、Hisashi Mihara、Hideyoshi Fuji、Risa Okimoto、Katsutoshi Ino、Kenichiro Ishizu、Taisuke Takahashi

  DOI：10.1248/cpb.c20-00877

  日期：2021.4.1

  derivative 1, a previously reported PAM of the M3 mAChR, we successfully identified N-pyrimidyl/pyridyl-2-thiazolamine analogues as new scaffolds. The SARs study was rationalized using conformational analyses based on intramolecular interactions. A comprehensive study of a series of analogues described in this paper suggests that a unique sulfur–nitrogen nonbonding interaction in the N-pyrimidyl/pyridyl-2-thiazolamine

  M 3毒蕈碱型乙酰胆碱受体（mAChR）在介导在整个周围和中枢神经系统（CNS）中释放的乙酰胆碱（ACh）的多种作用中起着重要的药理作用。然而，由于缺乏可用的亚型选择性激动剂或正构构调节剂（PAM），其激动功能仍不清楚。在我们对2-酰基氨基噻唑衍生物1（先前报道的M 3 mAChR的PAM ）进行扩展的结构-活性关系（SAR）研究过程中，我们成功鉴定出N-嘧啶基/吡啶基-2-噻唑胺类似物作为新的支架。使用基于分子内相互作用的构象分析对SARs研究进行了合理化。对本文描述的一系列类似物的全面研究表明，N-嘧啶基/吡啶基-2-噻唑胺部分中独特的硫-氮非键相互作用可实现活性必不可少的构象。此外，围绕N-嘧啶基/吡啶基-2-噻唑胺核心的SARs研究最终发现了化合物3g，该化合物对M 3 mAChR具有强大的体外PAM活性，并具有出色的亚型选择性。复方3g还显示出对大鼠膀胱分离的平滑肌组织具有明显的