ethyl 2-(1-methyl-4-(nitromethyl)piperidin-4-yl)acetate | 154495-64-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2-(1-methyl-4-(nitromethyl)piperidin-4-yl)acetate
• 英文别名: Ethyl 2-[1-methyl-4-(nitromethyl)piperidin-4-yl]acetate
• CAS: 154495-64-4
• 化学式: C₁₁H₂₀N₂O₄
• 分子量: 244.291
• InChiKey: SWQSXIJYIQTENI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-(1-methyl-4-(nitromethyl)piperidin-4-yl)acetate 在 platinum(IV) oxide 氢气 作用下， 以 乙醇 为溶剂， 以42%的产率得到2-Hydroxy-8-methyl-2,8-diazaspiro[4.5]decan-3-one
  参考文献：
  名称：

  一系列新的8-取代的2,8-二氮杂螺[4.5] decan-3-ones的合成†

  摘要：

  与毒蕈碱剂RS-86相比，合成了一系列新的8-取代的2,8-二氮杂螺[4.5] decan-3-one，并在体外和体内试验中预测了胆碱能的活性。初步药理数据表明该化合物没有明显的胆碱能特性。

  DOI：

  10.1002/jhet.5570300529
• 作为产物：
  描述：

  N-甲基-4-哌啶酮 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 48.0h， 生成 ethyl 2-(1-methyl-4-(nitromethyl)piperidin-4-yl)acetate
  参考文献：
  名称：

  [EN] ROR-GAMMA INHIBITORS
  [FR] INHIBITEURS DE ROR-GAMMA

  摘要：

  本发明涉及公式I的化合物和包含公式I化合物的药物组合物。公式I的化合物在治疗由RORγ介导的炎症性、代谢性或自身免疫性疾病方面是有用的。

  公开号：

  WO2019063748A1

文献信息

• N-Aryl Diazaspirocyclic Compounds and Methods of Preparation and Use Thereof
  申请人：Bhatti Balwinder S.

  公开号：US20080214591A1

  公开（公告）日：2008-09-04

  Compounds, pharmaceutical compositions including the compounds, and methods of preparation and use thereof are disclosed. The compounds are N-aryl diazaspirocyclic compounds, bridged analogs of N-heteroaryl diazaspirocyclic compounds, or prodrugs or metabolites of these compounds. The aryl group can be a five- or six-membered heterocyclic ring (heteroaryl). The compounds and compositions can be used to treat and/or prevent a wide variety of conditions or disorders, particularly those disorders characterized by dysfunction of nicotinic cholinergic neurotransmission, including disorders involving neuromodulation of neurotransmitter release, such as dopamine release. CNS disorders, which are characterized by an alteration in normal neurotransmitter release, are another example of disorders that can be treated and/or prevented. The compounds and compositions can also be used to alleviate pain. The compounds can: (i) alter the number of nicotinic cholinergic receptors of the brain of the patient, (ii) exhibit neuroprotective effects and (iii) when employed in effective amounts, not result in appreciable adverse side effects (e.g., side effects such as significant increases in blood pressure and heart rate, significant negative effects upon the gastro-intestinal tract, and significant effects upon skeletal muscle).

  本文揭示了化合物、包含这些化合物的药物组合物以及其制备和使用方法。这些化合物是N-芳基二氮杂螺环化合物、N-杂芳基二氮杂螺环化合物的桥接类似物，或这些化合物的前药或代谢物。芳基基团可以是五元或六元杂环环（杂芳基）。这些化合物和组合物可用于治疗和/或预防各种疾病或障碍，特别是那些以尼古丁胆碱能神经递质功能障碍为特征的障碍，包括涉及神经递质释放的神经调节障碍，如多巴胺释放。中枢神经系统障碍是另一个可以治疗和/或预防的障碍的例子，其特征是正常神经递质释放的改变。这些化合物和组合物还可用于缓解疼痛。这些化合物可以：（i）改变患者大脑中尼古丁胆碱能受体的数量，（ii）表现出神经保护作用，（iii）在有效剂量下，不会产生明显的不良副作用（例如，明显增加血压和心率、对胃肠道产生明显的负面影响以及对骨骼肌产生明显的影响）。
• N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF
  申请人：Bhatti Balwinder S.

  公开号：US20110105548A1

  公开（公告）日：2011-05-05

  Compounds, pharmaceutical compositions including the compounds, and methods of preparation and use thereof are disclosed. The compounds are N-aryl diazaspirocyclic compounds, bridged analogs of N-heteroaryl diazaspirocyclic compounds, or prodrugs or metabolites of these compounds. The aryl group can be a five- or six-membered heterocyclic ring (heteroaryl). The compounds and compositions can be used to treat and/or prevent a wide variety of conditions or disorders, particularly those disorders characterized by dysfunction of nicotinic cholinergic neurotransmission, including disorders involving neuromodulation of neurotransmitter release, such as dopamine release. CNS disorders, which are characterized by an alteration in normal neurotransmitter release, are another example of disorders that can be treated and/or prevented. The compounds and compositions can also be used to alleviate pain. The compounds can: (i) alter the number of nicotinic cholinergic receptors of the brain of the patient, (ii) exhibit neuroprotective effects and (iii) when employed in effective amounts, not result in appreciable adverse side effects (e.g., side effects such as significant increases in blood pressure and heart rate, significant negative effects upon the gastro-intestinal tract, and significant effects upon skeletal muscle).

  本文介绍了N-芳基二氮杂螺环化合物、N-杂芳基二氮杂螺环化合物的桥接类似物以及这些化合物的前药或代谢物。芳基可以是五元或六元杂环环（杂芳基）。这些化合物和组合物可以用于治疗和/或预防各种条件或疾病，特别是那些以尼古丁乙酰胆碱神经递质功能障碍为特征的疾病，包括涉及神经递质释放的神经调节疾病，如多巴胺释放。中枢神经系统疾病是另一种可以治疗和/或预防的疾病，其特征是正常神经递质释放的改变。这些化合物和组合物也可以用于缓解疼痛。这些化合物可以：（i）改变患者大脑中尼古丁乙酰胆碱受体的数量，（ii）表现出神经保护效果，以及（iii）在有效剂量下，不会产生明显的不良副作用（例如，明显增加血压和心率、对胃肠道产生明显负面影响和对骨骼肌产生明显影响等副作用）。
• SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE
  申请人：Qilu Pharmaceutical Co., Ltd

  公开号：EP3165530A1

  公开（公告）日：2017-05-10

  Disclosed is a spirocyclic aryl phosphorus oxide or sulfide as an ALK inhibitor, particularly a compound represented by formula (I) as an ALK inhibitor or pharmaceutically acceptable salt thereof.

  公开了一种作为 ALK 抑制剂的螺环芳基氧化磷或硫化物，特别是作为 ALK 抑制剂的式 (I) 所代表的化合物或其药学上可接受的盐。
• US7291731B2
  申请人：——

  公开号：US7291731B2

  公开（公告）日：2007-11-06
• US7375110B2
  申请人：——

  公开号：US7375110B2

  公开（公告）日：2008-05-20