3-<(chloroacetyl)amino>benzoyl chloride | 67852-69-1

• 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: 3-<(chloroacetyl)amino>benzoyl chloride
• 英文别名: 3-(2-chloroacetamide)benzoyl chloride；3-(chloroacetylamino)benzoyl chloride；3-(Chloroacetylamino)benzoylchloride；3-[(2-chloroacetyl)amino]benzoyl chloride
• CAS: 67852-69-1
• 化学式: C₉H₇Cl₂NO₂
• 分子量: 232.066
• InChiKey: YNNJBBFQUFWGBX-UHFFFAOYSA-N

物化性质

• 沸点：
  410.3±30.0 °C(Predicted)
• 密度：
  1.447±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-<(chloroacetyl)amino>benzoyl chloride 在 氢氧化钾 、 sodium hydroxide 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 21.5h， 生成 N-<3-<(mercaptocetyl)amino>benzoyl>glycine
  参考文献：
  名称：

  N-[[(Mercaptoacetyl)amino]benzoyl]glycines mucolytic agents

  摘要：

  m- and p-aminobenzoic acids were converted to the title compounds by sequential use of ClCH2COCl, SOCl2, glycine methyl or ethyl ester, AcSK, and hydrolysis. The title compounds and a number of salts were compared for mucolytic activity, toxicity, stability, and hygroscopicity. When compared to N-acetyl-L-cysteine (NAC), the compounds exhibit several times the in vitro mucolytic activity of NAC on a molar basis. The most promising candidate appears to be the sodium salt 3.5H2O 2 of the meta series.

  DOI：

  10.1021/jm00145a011
• 作为产物：
  描述：

  3-(2-氯乙酰氨基)-苯甲酸 在 吡啶 、 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以80%的产率得到3-<(chloroacetyl)amino>benzoyl chloride
  参考文献：
  名称：

  N-[[(Mercaptoacetyl)amino]benzoyl]glycines mucolytic agents

  摘要：

  m- and p-aminobenzoic acids were converted to the title compounds by sequential use of ClCH2COCl, SOCl2, glycine methyl or ethyl ester, AcSK, and hydrolysis. The title compounds and a number of salts were compared for mucolytic activity, toxicity, stability, and hygroscopicity. When compared to N-acetyl-L-cysteine (NAC), the compounds exhibit several times the in vitro mucolytic activity of NAC on a molar basis. The most promising candidate appears to be the sodium salt 3.5H2O 2 of the meta series.

  DOI：

  10.1021/jm00145a011

文献信息

• Mercaptoacylamidobenzoyl glycine and mucolytic process
  申请人：Mead Johnson & Company

  公开号：US04093739A1

  公开（公告）日：1978-06-06

  N-[3-(mercaptoacetylamino)benzoyl]glycine, alkali metal and amine salts thereof are potent topically effective mucolytic agents.

  N-[3-(巯基乙酰氨基)苯甲酰基]甘氨酸及其碱金属和胺盐是有效的局部粘液溶解剂。
• TRAP Display: A High-Speed Selection Method for the Generation of Functional Polypeptides
  作者：Takahiro Ishizawa、Takashi Kawakami、Patrick C. Reid、Hiroshi Murakami

  DOI：10.1021/ja312579u

  日期：2013.4.10

  Here, we describe a novel method that enables highspeed in vitro selection of functional peptides, peptidomimetics, and proteins via a simple procedure. We first developed a new cell-free translation system, the TRAP system (transcription translation coupled with association of Euromycin linker), which automatically produces a polypeptide library through a series of sequential reactions: transcription, association of puromycin-DNA linker, translation, and conjugation between the nascent polypeptide and puromycin-DNA linker. We then applied the TRAP system for the selection of macrocyclic peptides against human serum albumin. Six rounds of selection using TRAP display were performed in approximately 14 h, yielding macrocyclic peptides with nanomolar affinity to their target protein. Because TRAP display enables high-speed selection of functional polypeptides, it will facilitate the generation of various polypeptides that are useful for biological and therapeutic applications.
• US4093739A
  申请人：——

  公开号：US4093739A

  公开（公告）日：1978-06-06
• US4132803A
  申请人：——

  公开号：US4132803A

  公开（公告）日：1979-01-02
• US5286728A
  申请人：——

  公开号：US5286728A

  公开（公告）日：1994-02-15