N-acetylglycine anilide | 30764-27-3

• 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
• 英文名称: N-acetylglycine anilide
• 英文别名: 2-Acetamido-N-phenylacetamide
• CAS: 30764-27-3
• 化学式: C₁₀H₁₂N₂O₂
• mdl: MFCD11725343
• 分子量: 192.217
• InChiKey: WTMBVEKOTAHGAB-UHFFFAOYSA-N

物化性质

• 熔点：
  192 °C(Solv: water (7732-18-5))
• 沸点：
  493.2±28.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)
• 溶解度：
  0.03 M

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-acetylglycine anilide 在 氯仿 、 五氯化磷 作用下， 生成 5-chloro-2-methyl-1-phenyl-1H-imidazole
  参考文献：
  名称：

  Graenacher; Schelling; Schlatter, Helvetica Chimica Acta, 1925, vol. 8, p. 881

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴-N-苯乙酰胺 在 sodium hydroxide 、 二氧化硫 、 水 作用下， 生成 N-acetylglycine anilide
  参考文献：
  名称：

  Reichert; Baege, Pharmazie, 1949, vol. 4, p. 149

  摘要：

  DOI：

文献信息

• The Ugly Duckling Metamorphosis: The Ammonia/Formaldehyde Couple Made Possible in Ugi Reactions.
  作者：Thaissa Pasquali F. Rosalba、Samia Sayegh A. Kas、Ana Beatriz S. Sampaio、Carlos Eduardo M. Salvador、Carlos Kleber Z. Andrade

  DOI：10.1002/ejoc.202001671

  日期：2021.5.26

  The ammonia/formaldehyde couple (the ugly duckling in Ugi reactions) was finally made possible using hexamethylenetetramine (HMTA) as an efficient formaldehyde surrogate. Various NH-free Ugi adducts were obtained in moderate to excellent yields and two of them were converted to diketopiperazines (DKPs).

  最终，使用六亚甲基四胺（HMTA）作为有效的甲醛替代物，可以使氨/甲醛对（在Ugi反应中为丑小鸭）成为可能。以中等至极高的收率获得了各种不含NH的Ugi加合物，其中两个被转化为二酮哌嗪（DKPs）。
• A study of fragmentation of protonated amides of some acylated amino acids by tandem mass spectrometry: observation of an unusual nitrilium ion
  作者：Erach R. Talaty、Sarah M. Young、Ryan P. Dain、Michael J. Van Stipdonk

  DOI：10.1002/rcm.4965

  日期：2011.5.15

  ionization (ESI) was conducted. Among the fragment ions observed was an unusual one, which we have determined to be a nitrilium ion having the structure  or by loss of the full mass of glycine as a neutral fragment. A mechanism that we propose involves an initial protonation of the oxygen atom at the N‐terminus, followed by cyclization to a five‐membered imidazolium ring, and its subsequent collapse to

  利用电喷雾电离（ESI）进行了一系列串联的乙酰甘氨酸和马尿酸仲酰胺的质谱研究。中观察到的碎片离子是一个不寻常的，这是我们确定为具有以下结构的nitrilium离子 或损失了作为中性片段的甘氨酸的全部质量。我们提出的一种机制涉及在N端使氧原子初始质子化，然后环化为五元咪唑环，然后其折叠为腈离子。广泛的同位素标记和大量取代基支持这种机制。对酰基β-丙氨酸和酰基γ-氨基丁酸的酰胺的类似研究表明，前者提供相同的腈离子，而后者则没有。因此，六元中间体也是可能的，并且能够失去作为中性片段的完整β-丙氨酸的质量。当环的大小强制为七元时，该路径将被阻塞。当这项研究扩展到包括各种N-酰基脯氨酸酰胺，仅当酰基为乙酰基时才观察到100％的腈离子。因此，观察到脯氨酸效应（涉及双环[3.3.0]结构的应变）。版权所有©2011 John Wiley＆Sons，Ltd.
• Substituted pyrazoles as p38 kinase inhibitors
  申请人：Naraian S. Ashok

  公开号：US20070078146A1

  公开（公告）日：2007-04-05

  A class of pyrazole derivatives is described for use in treating p38 kinase medicated disorders. Compounds of particular interest are defined by Formula IA wherein R 1 , R 2 , R 3 and R 4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式IA定义，其中R1、R2、R3和R4如规范中所述。
• [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof
  申请人：Masuda Akira

  公开号：US20070010515A1

  公开（公告）日：2007-01-11

  Novel [1,2,4]triazolo[1,5-a]pyrimidine derivative of the general formula (1): (1) its prodrug or a pharmaceutically acceptable salt thereof, which exhibits an antigen presentation inhibiting activity and is useful as a preventive and/or therapeutic agent for immunological rejection and/or graft versus host reaction in organ/bone marrow transplant, autoimmune disease, allergic disease and/or inflammatory disease and also useful as an anticancer drug or as an immunological tolerance inducer for transplanted organ/transplanted bone marrow.

  这是一种通式为(1)的[1,2,4]三唑并[1,5-a]嘧啶衍生物的小说，其中(1)是其前药或其药学上可接受的盐，具有抗原呈递抑制活性，可用作预防和/或治疗器官/骨髓移植、自身免疫性疾病、过敏性疾病和/或炎症性疾病的免疫排斥和/或移植物抗宿主反应的预防和/或治疗剂，同时也可用作抗癌药物或用于移植器官/移植骨髓的免疫耐受诱导剂。
• RING-FUSED HETEROCYCLIC COMPOUND
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20150284384A1

  公开（公告）日：2015-10-08

  The ring-fused heterocyclic compound or a pharmaceutically acceptable salt thereof according to the present invention has a T-type calcium channel regulatory effect, and is useful, for example, as a medicament for treating and/or preventing pruritus. The present invention provides a ring-fused heterocyclic compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof and the like which has a T-type calcium channel regulatory effect and is useful as a therapeutic and/or preventive agent for pruritus, and the like. [wherein, R 1 represents optionally substituted lower alkyl and the like, R 2 represents optionally substituted lower alkyl and the like, R 3 represents the formula (II): (wherein, n represents 0 or 1, R 3a represents a hydrogen atom and the like, R 3b represents a hydrogen atom and the like, and R 3c represents a hydrogen atom and the like) and the like, Q represents a hydrogen atom and the like, and W 1 represents a nitrogen atom and the like, W 2 represents a nitrogen atom and the like]

  根据本发明，环融合杂环化合物或其药学上可接受的盐具有T型钙通道调节作用，例如，可用作治疗和/或预防瘙痒的药物。本发明提供了由以下一般式(I)或其药学上可接受的盐等表示的环融合杂环化合物，具有T型钙通道调节作用，可用作治疗和/或预防瘙痒等疾病的治疗和/或预防剂。其中，R1代表可选取代的低碳基等，R2代表可选取代的低碳基等，R3代表公式(II)：（其中，n代表0或1，R3a代表氢原子等，R3b代表氢原子等，R3c代表氢原子等）等，Q代表氢原子等，W1代表氮原子等，W2代表氮原子等。