N-phenylmethoxycarbonyl-1-aminoethyl sulfonic acid | 62554-01-2

• 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: N-phenylmethoxycarbonyl-1-aminoethyl sulfonic acid
• 英文别名: 1-(Phenylmethoxycarbonylamino)ethanesulfonic acid
• CAS: 62554-01-2
• 化学式: C₁₀H₁₃NO₅S
• 分子量: 259.283
• InChiKey: CLGFLJDSHLJQQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 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：
  101
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-phenylmethoxycarbonyl-1-aminoethyl sulfonic acid 在 氯化亚砜 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 120.0h， 生成 2-(1-Benzyloxycarbonylamino-ethanesulfonyloxy)-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：

  1-氨基乙磺酸 、 氯甲酸苄酯 在 sodium hydroxide 、 碳酸氢钠 、 sodium carbonate 作用下， 生成 N-phenylmethoxycarbonyl-1-aminoethyl sulfonic acid
  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

文献信息

• HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1467970A1

  公开（公告）日：2004-10-20
• EP1467970A4
  申请人：——

  公开号：EP1467970A4

  公开（公告）日：2005-12-21
• [EN] HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS<br/>[FR] CARBOXAMIDES HYDROXYNAPHTHYRIDINONE UTILES COMME INHIBITEURS DE L'INTEGRASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2003062204A1

  公开（公告）日：2003-07-31

  Hydroxynaphthyridinone carboxamides of formula (I): are described as inhibitors of HIV integrase and inhibitors of HIV replication, wherein L, R1a, R1b, R1c R2a, R2b, R3, R4 and R5 are defined herein. These compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of preventing, treating or delaying the onset of AIDS and methods of preventing or treating infection by HIV are also described.