2-氯-N-[4-(氰基甲基)苯基]乙酰胺 | 90772-87-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-N-[4-(氰基甲基)苯基]乙酰胺
• 英文名称: 2-chloro-N-(4-(cyanomethyl)phenyl)acetamide
• 英文别名: PCM-0102148；4-(2-Chloroacetylamino)benzylcyanide；p-Chloracetamido-phenylacetonitril；2-chloro-N-[4-(cyanomethyl)phenyl]acetamide
• CAS: 90772-87-5
• 化学式: C₁₀H₉ClN₂O
• mdl: MFCD04321299
• 分子量: 208.647
• InChiKey: PZQDQLNOJDDHMM-UHFFFAOYSA-N

物化性质

• 沸点：
  440.9±35.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2-氯-N-[4-(氰基甲基)苯基]乙酰胺 在 甲醇 、 sodium methylate 作用下， 生成 3-<4-(2-Diaethylamino-aethoxy)-phenyl>-2-<4-diaethylaminoacetamido-phenyl>-acrylsaeurenitril
  参考文献：
  名称：

  一些低胆固醇的2,3-二苯甲基丙烯腈。

  摘要：

  DOI：

  10.1021/jm00334a025
• 作为产物：
  描述：

  对氨基苯乙腈 、 氯乙酰氯 以 N,N-二甲基乙酰胺 为溶剂， 以87.8%的产率得到2-氯-N-[4-(氰基甲基)苯基]乙酰胺
  参考文献：
  名称：

  Piperazine and homopiperazine derivatives, pharmaceutical compositions

  摘要：

  本发明涉及具有通式(I)的新颖化合物及其药学上可接受的酸加成盐。在通式(I)中，其中Lip、A1、A2、Het和n如说明书中所定义。通式(I)的化合物抑制脂质过氧化，因此，它们可用于治疗或预防需要抑制脂质过氧化的疾病和状况。

  公开号：

  US05380724A1

文献信息

• Design, synthesis and evaluation of novel quinazoline-2,4-dione derivatives as chitin synthase inhibitors and antifungal agents
  作者：Qinggang Ji、Dan Yang、Xin Wang、Chunyan Chen、Qiao Deng、Zhiqiang Ge、Lvjiang Yuan、Xiaolan Yang、Fei Liao

  DOI：10.1016/j.bmc.2014.04.042

  日期：2014.7

  A series of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives were designed, synthesized, and characterized by H-1 NMR, C-13 NMR and MS spectral data. Their inhibition against chitin synthase (CHS) and antifungal activities were evaluated in vitro. Results showed compounds 5b, 5c, 5e, 5f, 5j, 5k, 51, and So had strong inhibitory potency against CHS. Compound 5c, which has the highest potency among these compounds, had a half-inhibition concentration (IC50) of 0.08 mmol/L, while polyoxin B as positive drug had IC50 of 0.18 mmol/L. These IC50 values of compounds 5i, 5m, 5n, and Ss were greater than 0.75 mmol/L, which revealed that those compounds had weak inhibition activity against CHS. Moreover, most of these compounds exhibited moderate to excellent antifungal activities. In detail, to Candida albicans, the activities of compound 5g and 5k were 8-fold stronger than that of fluconazole and 4-fold stronger than that of polyoxin B; to Aspergillus flavus, the activities of 5g, 51 and 50 were 16-fold stronger than that of fluconazole and 8-fold stronger than that of polyoxin B; to Cryptococcus neoformans, the minimum-inhibition-concentration (MIC) values of compounds 5c, 5d, Se and 51 were comparable to those of fluconazole and polyoxin B. The antifungal activities of these compounds were positively correlated to their IC50 values against CHS. Furthermore, these compounds had negligible actions to bacteria. Therefore, these compounds were promising selective antifungal agents. (C) 2014 Elsevier Ltd. All rights reserved.
• Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same
  申请人：NISSHIN FLOUR MILLING CO., LTD.

  公开号：EP0574906B1

  公开（公告）日：2001-08-22
• US5380724A
  申请人：——

  公开号：US5380724A

  公开（公告）日：1995-01-10
• Piperazine and homopiperazine derivatives, pharmaceutical compositions
  申请人：Gyogyszerkutato Intezet KFT

  公开号：US05380724A1

  公开（公告）日：1995-01-10

  This invention relates to novel compounds of the general formula (I) and the pharmaceutically acceptable acid addition salts thereof. In the general formula (I) ##STR1## wherein Lip, A.sup.1, A.sup.2, Het and n are defined as in the specification. The compounds of the general formula (I) inhibit the lipid peroxidation and therefore, they are useful for the treatment or prevention of diseases and conditions wherein the inhibition of lipid peroxidation is desirable.

  本发明涉及具有通式(I)的新颖化合物及其药学上可接受的酸加成盐。在通式(I)中，其中Lip、A1、A2、Het和n如说明书中所定义。通式(I)的化合物抑制脂质过氧化，因此，它们可用于治疗或预防需要抑制脂质过氧化的疾病和状况。
• Some Hypocholesteremic 2,3-Diphenylacrylonitriles¹
  作者：G. M. K. Hughes、P. F. Moore、R. B. Stebbins

  DOI：10.1021/jm00334a025

  日期：1964.7