2-环戊基肼羧酸 1,1-二甲基乙酯 | 646071-31-0

• 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
• 中文名称: 2-环戊基肼羧酸 1,1-二甲基乙酯
• 中文别名: 2-环戊基肼羧酸1,1-二甲基乙酯
• 英文名称: tert-butyl 2-cyclopentylhydrazinecarboxylate
• 英文别名: tert-butyl N-(cyclopentylamino)carbamate
• CAS: 646071-31-0
• 化学式: C₁₀H₂₀N₂O₂
• 分子量: 200.281
• InChiKey: JQQJGTQKMJCMGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  2-环戊基肼羧酸 1,1-二甲基乙酯 在 tris-(dibenzylideneacetone)dipalladium(0) 1,1'-双(二苯基膦)二茂铁 、 N,N-二异丙基乙胺 、 锌 作用下， 以 异丁酰胺 、 异丙醇 为溶剂， 150.0 ℃ 、1.2 MPa 条件下， 反应 15.05h， 生成 1,1-dimethylethyl 2-[2-cyano-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]-2-cyclopentylhydrazinecarboxylate
  参考文献：
  名称：

  WO2008/107368

  摘要：

  公开号：
• 作为产物：
  描述：

  环戊酮 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 6.0h， 生成 2-环戊基肼羧酸 1,1-二甲基乙酯
  参考文献：
  名称：

  Identification of potent pyrazole based APELIN receptor (APJ) agonists

  摘要：

  The apelinergic system comprises the apelin receptor and its cognate apelin and elabela peptide ligands of various lengths. This system has become an increasingly attractive target for pulmonary and cardiometabolic diseases. Small molecule regulators of this receptor with good drug-like properties are needed. Recently, we discovered a novel pyrazole based small molecule agonist 8 of the apelin receptor (EC50 = 21.5 mu M, K-i = 5.2 mu M) through focused screening which was further optimized to initial lead 9 (EC50 = 0.800 mu M, K-i = 1.3 mu M). In our efforts to synthesize more potent agonists and to explore the structural features important for apelin receptor agonism, we carried out structural modifications at N1 of the pyrazole core as well as the amino acid side-chain of 9. Systematic modifications at these two positions provided potent small molecule agonists exhibiting EC50 values of < 100 nM. Recruitment of beta-arrestin as a measure of desensitization potential of select compounds was also investigated. Functional selectivity was a feature of several compounds with a bias towards calcium mobilization over beta-arrestin recruitment. These compounds may be suitable as tools for in vivo studies of apelin receptor function.

  DOI：

  10.1016/j.bmc.2019.115237

文献信息

• N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES
  申请人：Winzenberg Norman Kevin

  公开号：US20070238700A1

  公开（公告）日：2007-10-11

  Novel N-phenyl-1,1,1-trifluoromethanesulfonamide compounds useful for controlling endo and/or ectoparasites in the environment are provided, together with methods of making the same, and methods of using the inventive compounds to treat parasite infestations in vivo and ex vivo.

  提供了一种用于控制环境中内外寄生虫的新型N-苯基-1,1,1-三氟甲磺酰胺化合物，以及制备这些化合物的方法，以及利用这些创新化合物治疗体内和体外寄生虫感染的方法。
• Synthesis and Selective Cyclooxygenase-2 Inhibitory Activity of a Series of Novel, Nitric Oxide Donor-Containing Pyrazoles
  作者：Ramani R. Ranatunge、Michael Augustyniak、Upul K. Bandarage、Richard A. Earl、James L. Ellis、David S. Garvey、David R. Janero、L. Gordon Letts、Allison M. Martino、Madhavi G. Murty、Stewart K. Richardson、Joseph D. Schroeder、Matthew J. Shumway、S. William Tam、A. Mark Trocha、Delano V. Young

  DOI：10.1021/jm030276s

  日期：2004.4.1

  The synthesis of a series of novel pyrazoles containing a nitrate (ONO(2)) moiety as a nitric oxide (NO)-donor functionality is reported. Their COX-1 and COX-2 inhibitory activities in human whole blood are profiled. Our data demonstrate that pyrazole ring substituents play an important role in COX-2 selective inhibition, such that a cycloalkyl pyrazole (6b) was found to be a potent and selective COX-2

  据报道一系列含有硝酸盐（ONO（2））作为一氧化氮（NO）-供体官能团的新型吡唑的合成。分析了它们在人全血中对COX-1和COX-2的抑制活性。我们的数据表明，吡唑环取代基在COX-2选择性抑制中起重要作用，因此发现环烷基吡唑（6b）是一种有效且选择性的COX-2抑制剂。在中心吡唑环（17b，23b，26b-1）的3位上的其他修饰增强了COX-2抑制能力。在合成的吡唑中，肟（23b）被确定为最有效的COX-2选择性抑制剂。因此，口服给药后在大鼠中进行了药理学分析，结果表明23b在角叉菜胶诱导的气袋模型中具有有效的抗炎活性，并且与背景阿司匹林一起给药时，胃毒性比标准COX-2抑制剂低。我们建议，NO供体COX-2选择性抑制剂的胃耐受性增强，有可能增加该药物类别的临床表现。
• Hydrazinopyrimidines as cysteine protease inhibitors
  申请人：GLAXO GROUP

  公开号：EP1918284A1

  公开（公告）日：2008-05-07

  Substituted heteroaryl nitrile derivatives of Formula I, processes for their preparation, pharmaceutical compositions comprising such compounds and use of the compounds as cysteine protease inhibitors are provided.

  Formula I的取代杂环亚硝基衍生物， 提供其制备方法，包含这类化合物的药物组合物以及将这些化合物用作半胱氨酸蛋白酶抑制剂的用途。
• Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase
  申请人：Anderson Kevin William

  公开号：US20070225280A1

  公开（公告）日：2007-09-27

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, type II diabetes mellitus and metabolic syndrome.

  本文提供了以下式（I）的化合物： 以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗诸如II型糖尿病和代谢综合征等疾病是有用的。
• PROTEIN KINASE INHIBITORS
  申请人：Pharmascience, Inc.

  公开号：US20150191473A1

  公开（公告）日：2015-07-09

  The present invention relates to a novel family of inhibitors of protein kinases. In particular, the present invention relates to inhibitors of the members of the Tec and Src protein kinase families.

  本发明涉及一种新型的蛋白激酶抑制剂家族。具体而言，本发明涉及Tec和Src蛋白激酶家族成员的抑制剂。