(S)-tert-butyl 2-[(3-nitrophenoxy)methyl]pyrrolidine-1-carboxylate | 174213-23-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-tert-butyl 2-[(3-nitrophenoxy)methyl]pyrrolidine-1-carboxylate
• 英文别名: (S)-2-(3-nitro-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester；(S)-1-t-Butoxycarbonyl-2-(3-(nitro)phenoxymethyl)pyrrolidine；tert-butyl (2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine-1-carboxylate
• CAS: 174213-23-1
• 化学式: C₁₆H₂₂N₂O₅
• 分子量: 322.361
• InChiKey: PYDLPMYOSUIKHQ-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  84.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-tert-butyl 2-[(3-nitrophenoxy)methyl]pyrrolidine-1-carboxylate 在 palladium 10% on activated carbon 氢气 作用下， 反应 3.5h， 以90%的产率得到(S)-tert-butyl 2-((3-aminophenoxy)methyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Methods for inhibiting protein kinases

  摘要：

  本发明提供了利用咪唑并[1,2-a]吡嗪化合物抑制来自AKT、检查点激酶、枢纽激酶、Pim-1激酶和酪氨酸激酶的蛋白激酶的方法，以及利用这些化合物治疗、预防、抑制或改善与蛋白激酶相关的一种或多种疾病的方法。

  公开号：

  US20070105864A1
• 作为产物：
  描述：

  L-脯氨醇 在 偶氮二甲酸二异丙酯 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-tert-butyl 2-[(3-nitrophenoxy)methyl]pyrrolidine-1-carboxylate
  参考文献：
  名称：

  手性吡咯烷作为阿尔茨海默病和神经退行性疾病的多效药物

  摘要：

  在药物科学和药物设计中，吡咯烷支架在空间排列、合成可及性和药理学特征方面的多功能性是一个被广泛探索和最有趣的领域。尽管如此，很少有证据表明吡咯烷作为神经退行性疾病多效药物支架的关键作用。然后，我们通过基于结构和计算机辅助设计策略，重点关注多靶点作用、多功能合成以及药理学安全性，挑战了迄今为止尚未阐明的化学陈词滥调靶点进入阿尔茨海默病领域的情况。为了实现这些目标，获得并测试了十对对映体化合物，并且将在此介绍和讨论生物学数据。在新型化合物中，含有类似物的香豆素和芝麻酚支架具有广阔的前景。

  DOI：

  10.1016/j.bmc.2024.117829

文献信息

• Imidazopyrazines as protein kinase inhibitors
  申请人：Zhao Lianyun

  公开号：US20070117804A1

  公开（公告）日：2007-05-24

  In its many embodiments, the present invention provides a novel class of imidazopyrazine compounds as inhibitors of protein and/or checkpoint kinases, methods of preparing such compounds, pharmaceutical compositions including one or more such compounds, methods of preparing pharmaceutical formulations including one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the protein or checkpoint kinases using such compounds or pharmaceutical compositions.

  本发明的多种实施例提供了一类新型的咪唑吡嗪化合物，作为蛋白质和/或检查点激酶的抑制剂，包括制备这类化合物的方法、包含一个或多个这类化合物的药物组合物、制备包含一个或多个这类化合物的药物制剂的方法，以及使用这类化合物或药物组合物治疗、预防、抑制或改善与蛋白质或检查点激酶相关的一个或多个疾病的方法。
• 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive
  申请人：Abbott Laboratories

  公开号：US05472958A1

  公开（公告）日：1995-12-05

  Selective and potent cholinergic ligands selective for neuronal nicotinic cholinergic channel receptors, which ligands have the formula: ##STR1## as well as pharmaceutically-acceptable salts or prodrugs thereof, which are useful in the treatment of dementias, attentional hyperactivity disorder, or substance abuse withdrawal characterized by decreased cholinergic function, one of which is also an analgesic agent, and one of which is an agent useful for treating anxiety associated with cognitive impairment.

  具有以下结构式的选择性和有效的胆碱能配体，这些配体选择性地作用于神经尼古丁胆碱通道受体，以及其药用盐或前药，这些配体在治疗痴呆、注意力过度活跃障碍或物质滥用戒断中具有降低胆碱功能的特征方面具有用处，其中一个还是镇痛剂，另一个是用于治疗与认知障碍相关的焦虑的药物。
• Novel imidazopyrazines as cyclin dependent kinase inhibitors
  申请人：Guzi J. Timothy

  公开号：US20060106023A1

  公开（公告）日：2006-05-18

  In its many embodiments, the present invention provides a novel class of imidazo[1,2-a]pyrazine compounds as inhibitors of cyclin dependent kinases, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the CDKs using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一种新型的咪唑[1,2-a]吡嗪化合物作为细胞周期蛋白依赖性激酶的抑制剂，制备这种化合物的方法，含有一种或多种这样的化合物的制药组合物，制备包含一种或多种这样的化合物的制药配方的方法，以及使用这种化合物或制药组合物治疗、预防、抑制或改善与CDKs相关的一种或多种疾病的方法。
• Novel 5-substituted 3-hydroxyphenyl and 3-nitrophenyl ethers of S -prolinol as α4β2-nicotinic acetylcholine receptor ligands
  作者：Cristiano Bolchi、Francesco Bavo、Laura Fumagalli、Cecilia Gotti、Francesca Fasoli、Milena Moretti、Marco Pallavicini

  DOI：10.1016/j.bmcl.2016.10.078

  日期：2016.12

  A series of 3-nitrophenyl and 3-hydroxyphenyl ethers of (S)-N-methylprolinol bearing bulky and lipophilic substituents at phenyl C5 were tested for affinity at alpha 4 beta 2 and alpha 3 beta 4 nAChRs. The two phenyl ethers 5-substituted with 6-hydroxy-1-hexynyl showed high a4b2 affinity and significantly increased alpha 4 beta 2/alpha 3 beta 4 selectivity compared to the respective unsubstituted parent compounds. Within the two series of novel phenyl ethers, we observed parallel shifts in affinity and, furthermore, the increase in alpha 4 beta 2/alpha 3 beta 4 selectivity resulting from the hydroxyalkynyl substitution parallels that reported for the same modification at the 3-pyridyl ether of (S)-N-methylprolinol (A-84543), a well-known potent alpha 4 beta 2 agonist. On the basis of these results, our nitrophenyl and hydroxyphenyl prolinol ethers can be considered bioisosteres of the pyridyl ether A-84543 and lead compounds candidable to analogous optimization processes. (C) 2016 Elsevier Ltd. All rights reserved.
• METHODS FOR INHIBITING PROTEIN KINASES
  申请人：Schering Corporation

  公开号：EP1945216A1

  公开（公告）日：2008-07-23