(1-Chlorosulfonyl-ethyl)-carbamic acid benzyl ester | 103631-58-9

• 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: (1-Chlorosulfonyl-ethyl)-carbamic acid benzyl ester
• 英文别名: benzyl N-(1-chlorosulfonylethyl)carbamate
• CAS: 103631-58-9
• 化学式: C₁₀H₁₂ClNO₄S
• 分子量: 277.729
• InChiKey: HAYASHMCLLWCEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  DL-丙氨酸甲酯盐酸盐 、 (1-Chlorosulfonyl-ethyl)-carbamic acid benzyl ester 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 192.0h， 以28%的产率得到2-(1-Benzyloxycarbonylamino-ethanesulfonylamino)-propionic acid methyl ester
  参考文献：
  名称：

  Phosphinate, sulfonate, and sulfonamidate dipeptides as potential inhibitors of Escherichia coli aminopeptidase N

  摘要：

  In an effort to prepare novel inhibitors of bacterial aminopeptidase N (PepN), the phosphinate, propenylphosphinate, decylphosphinate, sulfonate, and sulfonamidate analogs of Ala-Ala were synthesized and tested as inhibitors. Phosphinate I was shown to inhibit PepN with a K-i of 10 mu M, and propenylphosphinate 2 and decylphosphinate 3 inhibited PepN with a K-i of ca. 1 mu M. Sulfonate and sulfonamidate analogs did not inhibit PepN. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.055
• 作为产物：
  描述：

  N-phenylmethoxycarbonyl-1-aminoethyl sulfonic acid 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 (1-Chlorosulfonyl-ethyl)-carbamic acid benzyl ester
  参考文献：
  名称：

  Phosphinate, sulfonate, and sulfonamidate dipeptides as potential inhibitors of Escherichia coli aminopeptidase N

  摘要：

  In an effort to prepare novel inhibitors of bacterial aminopeptidase N (PepN), the phosphinate, propenylphosphinate, decylphosphinate, sulfonate, and sulfonamidate analogs of Ala-Ala were synthesized and tested as inhibitors. Phosphinate I was shown to inhibit PepN with a K-i of 10 mu M, and propenylphosphinate 2 and decylphosphinate 3 inhibited PepN with a K-i of ca. 1 mu M. Sulfonate and sulfonamidate analogs did not inhibit PepN. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.055