2-(丙-2-烯基氨基)乙酰胺 | 57466-69-0

• 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-(丙-2-烯基氨基)乙酰胺
• 英文名称: chloroacetic acid-N-(2-propenyl)-amide
• 英文别名: N-allylglycine amide；N-acrylylglycinamide；2-(Allylamino)acetamide；2-(prop-2-enylamino)acetamide
• CAS: 57466-69-0
• 化学式: C₅H₁₀N₂O
• mdl: MFCD11149762
• 分子量: 114.147
• InChiKey: NMEHIEZLKLETBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  251.1±23.0 °C(Predicted)
• 密度：
  0.985±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 2-(丙-2-烯基氨基)乙酰胺 、 三乙胺 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Novel dithiocarbamate carbapenems with anti-MRSA activity

  摘要：

  A new series of 1 beta-methyl carbapenems, in which a disubstituted-aminothiocarbonylthio moiety was attached to the C-2 position of the carbapenem nucleus, were prepared and evaluated for anti-MRSA activity. These derivatives showed good in vitro antibacterial activity against high-level MRSA, and the finding of good affinity for PBP-2' supported these results. Some of the compounds having favorable protein-binding affinity showed excellent in vivo anti-MRSA activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00069-8
• 作为产物：
  描述：

  N-(2-丙烯基)甘氨酸乙酯 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 2-(丙-2-烯基氨基)乙酰胺
  参考文献：
  名称：

  Structure-Activity Study onN-Substituted-aminoacetonitriles Possessing Preventive Activity against Fusarium Diseases

  摘要：

  采用 Hansch 方法研究了对镰刀菌病害具有预防活性的 N-烷基氨基丙酮腈及其类似物的结构-活性关系。结果表明，N-烷基对由 Fusarium oxysporum f. sp. raphani 引起的日本萝卜黄萎病的预防活性变化与 N-烷基的立体尺寸变化有关。N-sec-butylaminoacetonitrile 的酰胺、羧酸和醇衍生物没有活性，而 N-allylaminoacetonitrile 的衍生物则具有很强的活性。

  DOI：

  10.1080/00021369.1980.10863920

文献信息

• N-substituted-aminoacetamides used as fungicides
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04025651A1

  公开（公告）日：1977-05-24

  N-substituted-aminoacetamide compounds having the formula (I) ##STR1## wherein R.sub.1 represents a lower alkenyl group having up to 5 carbon atoms, a halogen-substituted lower alkenyl group having up to 5 carbon atoms or a lower alkynyl group having up to 5 carbon atoms, R.sub.2 and R.sub.3, which may be the same or different, each represents a hydrogen atom or a lower akyl group having up to 4 carbon atoms, and the inorganic and organic acid addition salts thereof, which are useful as fungicidal agents, processesfor preparing N-substituted-aminoacetamide compounds and fungicidal compositions containing at least one compound of the formula (I) as an active inredient.

  N-取代氨基乙酰胺化合物的化学式（I）##STR1##其中R.sub.1代表具有最多5个碳原子的较低烯基基团，具有最多5个碳原子的卤素取代的较低烯基基团或具有最多5个碳原子的较低炔基基团，R.sub.2和R.sub.3，可以相同也可以不同，每个代表氢原子或具有最多4个碳原子的较低烷基基团，以及它们的无机和有机酸盐，这些化合物可用作杀真菌剂，用于制备N-取代氨基乙酰胺化合物的过程和含有至少一种化合物的真菌杀菌剂组合物的配方。
• Positional Scanning Synthesis of a Peptoid Library Yields New Inducers of Apoptosis that Target Karyopherins and Tubulin
  作者：Glòria Vendrell-Navarro、Federico Rúa、Jordi Bujons、Andreas Brockmeyer、Petra Janning、Slava Ziegler、Angel Messeguer、Herbert Waldmann

  DOI：10.1002/cbic.201500169

  日期：2015.7.27

  High‐content screening of positional scanning libraries (PS‐SCLs) represents a promising route for the discovery of biologically relevant compounds. Combined with target identification studies, this strategy successfully enabled the discovery of two pro‐apoptotic compounds from a peptoid PS‐SCL. Despite their high structural similarity, they displayed different mechanisms of action.

  位置扫描库（PS-SCL）的高含量筛选是发现生物相关化合物的有前途的途径。结合目标识别研究，该策略成功地从类肽PS-SCL中发现了两种促凋亡化合物。尽管它们的结构相似性很高，但它们显示出不同的作用机理。
• Novel dithiocarbamate carbapenems with anti-MRSA activity
  作者：Norikazu Ohtake、Hideaki Imamura、Hideki Jona、Hideo Kiyonaga、Aya Shimizu、Minoru Moriya、Hiroki Sato、Masato Nakano、Ryosuke Ushijima、Susumu Nakagawa

  DOI：10.1016/s0968-0896(98)00069-8

  日期：1998.7

  A new series of 1 beta-methyl carbapenems, in which a disubstituted-aminothiocarbonylthio moiety was attached to the C-2 position of the carbapenem nucleus, were prepared and evaluated for anti-MRSA activity. These derivatives showed good in vitro antibacterial activity against high-level MRSA, and the finding of good affinity for PBP-2' supported these results. Some of the compounds having favorable protein-binding affinity showed excellent in vivo anti-MRSA activity. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Structure-Activity Study on<i>N</i>-Substituted-aminoacetonitriles Possessing Preventive Activity against Fusarium Diseases
  作者：Osamu Kirino、Hirofumi Oshita、Tadashi Oishi、Toshiro Kato

  DOI：10.1080/00021369.1980.10863920

  日期：1980.1

  The structure-activity relationships of N-alkylaminoacetonitriles and analogs possessing preventive activity against Fusarium diseases were investigated by the Hansch method. The variation in the preventive activity against yellows of the Japanese radish caused by Fusarium oxysporum f. sp. raphani was shown to be related to the variation in the steric dimension of the N-alkyl group. The amide, carboxylic acid and alcohol derivatives of N-sec-butylaminoacetonitrile were inactive while those of N-allylaminoacetonitrile showed the potent activity.

  采用 Hansch 方法研究了对镰刀菌病害具有预防活性的 N-烷基氨基丙酮腈及其类似物的结构-活性关系。结果表明，N-烷基对由 Fusarium oxysporum f. sp. raphani 引起的日本萝卜黄萎病的预防活性变化与 N-烷基的立体尺寸变化有关。N-sec-butylaminoacetonitrile 的酰胺、羧酸和醇衍生物没有活性，而 N-allylaminoacetonitrile 的衍生物则具有很强的活性。