N-(2-amino-ethyl)-2-(4-methoxy-phenyl)-acetamide | 53673-37-3

• 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: N-(2-amino-ethyl)-2-(4-methoxy-phenyl)-acetamide
• 英文别名: (4-methoxy-phenyl)-acetic acid-(2-amino-ethylamide)；N-(2-Amino-aethyl)-C-(4-methoxy-phenyl)-acetamid；(4-Methoxy-phenyl)-essigsaeure-(2-amino-aethylamid)；N-[(4-Methoxy-phenyl)-acetyl]-aethylendiamin；N-(2-aminoethyl)-2-(4-methoxyphenyl)acetamide
• CAS: 53673-37-3
• 化学式: C₁₁H₁₆N₂O₂
• 分子量: 208.26
• InChiKey: QYTDTGSASKGUAB-UHFFFAOYSA-N

物化性质

• 沸点：
  433.6±35.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯基缩水甘油醚 、 N-(2-amino-ethyl)-2-(4-methoxy-phenyl)-acetamide 生成 1-phenoxy-3-β-(4-methoxyphenylacetamidoethyl)amino-2propanol
  参考文献：
  名称：

  CH605666

  摘要：

  公开号：
• 作为产物：
  描述：

  4-甲氧基苯乙酸甲酯 、 乙二胺 在 水 作用下， 生成 N-(2-amino-ethyl)-2-(4-methoxy-phenyl)-acetamide
  参考文献：
  名称：

  青霉素的生物合成；取代的苯乙酸衍生物作为青霉素的前体。

  摘要：

  DOI：

  10.1021/ja01189a001

文献信息

• .beta.-Adrenergic blocking agents. 19. 1-Phenyl-2-[[(substituted-amido)alkyl]amino]ethanols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00176a002

  日期：1980.2

  series of derivatives of 1-phenyl-2-[[(substituted amido)alkyl]amino]ethanols is described. The compounds were investigated for beta-adrenoceptor blocking properties, and many showed a surprising degree of potency and beta 1-cardioselectivity when tested in vivo in anesthetized cats. The structure-activity relationships shown by this series of compounds are discussed and related to known beta-adrenergic

  描述了1-苯基-2-[[（取代的酰胺基烷基）氨基]氨基]乙醇的一系列衍生物的合成。研究了这些化合物的β-肾上腺素受体阻断特性，当在麻醉的猫体内进行测试时，许多化合物显示出令人惊讶的效力和β1-心脏选择性。讨论了这一系列化合物显示的结构活性关系，并与已知的β-肾上腺素能阻断剂有关。
• Certain alkylene diamine-substituted heterocycles
  申请人：Neurogen Corporation

  公开号：US06506762B1

  公开（公告）日：2003-01-14

  The present invention also provides a general method to whereby mono-, bi-, or tricyclic heterocycles may be modified to obtain potent antagonists at the NPY1 receptor. The present invention provides novel, potent, non-peptidic antagonists of NPY receptors, particularly, the NPY1 receptors, designed from a selection of mono-, bi-, or tri-cyclic heterocyclic cores. This invention relates to novel compounds, compositions, and methods for the treatment of physiological disorders associated with an excess of neuropeptide Y. The novel compounds encompassed by the present invention are those of the formula I-XV. wherein X is N or CR14; W is S, O, or NR15; Y is N or CR3; E, F, and G are each, independently, CR3 or N; I and J are each, independently, C═O, S, O, CR3R16 or NR15 when single bonded to both adjacent ring atoms, or N, or CR3 when double bonded to an adjacent ring atom; K is N or CR3 when double bonded to L or J, or O, S, C═O, CR3R16, or NR15 when single bonded to both adjacent ring atoms, or N or CR3 when double bonded to an adjacent ring atom; L is N or CR16 when single bonded to all atoms to which it is attached, or C (carbon) when double bonded to K; the 6- or 7-membered ring that contains I, J, K, and L may contain from 1 to 3 double bonds, from 0 to 2 heteroatoms, and from 0 to 2 C═O groups, wherein the carbon atom of such groups are part of the ring and the oxygen atom is a substituent on the ring; Q is O or NR15. Such compounds inhibit the activity of neuropeptide Y at those receptors are useful in treating physiological disorders associated with an excess of neuropeptide Y, including eating disorders, such as, for example, obesity and bulimia, and certain cardiovascular diseases, for example, hypertension.

  本发明还提供了一种通用方法，通过该方法可以修改单环、双环或三环杂环化合物，从而获得在NPY1受体上具有强效拮抗作用的化合物。本发明提供了NPY受体的新颖、强效、非肽类拮抗剂，特别是NPY1受体，这些拮抗剂是设计自一系列单环、双环或三环杂环核心。本发明涉及用于治疗与神经肽Y过量有关的生理紊乱的新化合物、组合物和方法。本发明涵盖的新型化合物符合以下公式I-XV。其中X为N或CR14；W为S、O或NR15；Y为N或CR3；E、F和G分别独立地为CR3或N；I和J分别独立地为C═O、S、O、CR3R16或NR15（当与两个相邻环原子形成单键时），或N或CR3（当与一个相邻环原子形成双键时）；K为N或CR3（当与L或J形成双键时），或O、S、C═O、CR3R16或NR15（当与两个相邻环原子形成单键时），或N或CR3（当与一个相邻环原子形成双键时）；L为N或CR16（当与所有相邻原子形成单键时），或C（碳）（当与K形成双键时）；包含I、J、K和L的6-或7-成员环可包含1至3个双键，0至2个杂原子和0至2个C═O基团，其中该基团的碳原子是环的一部分，氧原子是环上的取代基；Q为O或NR15。这些化合物抑制神经肽Y在这些受体上的活性，对于治疗与神经肽Y过量有关的生理紊乱，包括饮食紊乱，例如肥胖症和暴食症，以及某些心血管疾病，例如高血压，具有用处。
• Identification of Structure-Activity Relationships from Screening a Structurally Compact DNA-Encoded Chemical Library
  作者：Raphael M. Franzini、Torun Ekblad、Nan Zhong、Moreno Wichert、Willy Decurtins、Angela Nauer、Mauro Zimmermann、Florent Samain、Jörg Scheuermann、Peter J. Brown、Jonathan Hall、Susanne Gräslund、Herwig Schüler、Dario Neri

  DOI：10.1002/anie.201410736

  日期：2015.3.23

  inexpensive discovery of hit compounds are essential for pharmaceutical research and DNA‐encoded chemical libraries represent promising tools for this purpose. We here report on the design and synthesis of DAL‐100K, a DNA‐encoded chemical library containing 103 200 structurally compact compounds. Affinity screening experiments and DNA‐sequencing analysis provided ligands with nanomolar affinities to several

  快速廉价地发现命中化合物的方法对于药物研究至关重要，而DNA编码的化学文库代表了实现此目的的有前途的工具。我们在这里报告DAL-100K的设计和合成，DAL-100K是一种DNA编码的化学文库，其中包含103200种结构紧凑的化合物。亲和力筛选实验和DNA测序分析提供了对几种蛋白质具有纳摩尔亲和力的配体，包括前列腺特异性膜抗原和tankyrase1。观察到了序列计数与结合亲和力和酶抑制潜能的相关性，并能够鉴定对蛋白质至关重要的结构特征活动。
• Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines
  申请人：Neurogen Corporation

  公开号：US20030069246A1

  公开（公告）日：2003-04-10

  Disclosed are compounds of the formula: 1 where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.

  本发明揭示了以下化合物的公式：1其中R1、R2、R3、R4、R5、R6和X在此定义。这些化合物是NPY1受体的选择性调节剂。这些化合物在治疗许多中枢神经系统疾病、代谢性疾病和外周疾病，特别是进食障碍和高血压方面非常有用。本发明还提供了治疗这些疾病的方法以及包装的制药组合物。本发明的化合物还可用作NPY1受体定位的探针，以及在NPY1受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。
• Certain alkylene diamine-substituted pyrazlo (1,5-a)-1,5-pyrimidines and pyrazolo (1,5-a) 1,3,5-triazines
  申请人：Neurogen Corporation

  公开号：US06372743B1

  公开（公告）日：2002-04-16

  Disclosed are compounds of the formula: where R1, R2, R3, R4, R5, R6, and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.

  本发明公开了化合物的结构式：其中R1、R2、R3、R4、R5、R6和X的定义如下。这些化合物是NPY1受体的选择性调节剂，可用于治疗许多中枢神经系统疾病、代谢性疾病和外周疾病，尤其是进食障碍和高血压。本发明还提供了治疗这些疾病的方法以及包装的制药组合物。本发明的化合物还可用作NPY1受体定位的探针和NPY1受体结合测定的标准。本发明还提供了使用这些化合物进行受体定位研究的方法。