N-(3-hydroxypropyl) hydroxylamine hydrochloride | 868551-41-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(3-hydroxypropyl) hydroxylamine hydrochloride
• 英文别名: N-(3-hydroxypropyl)hydroxylamine hydrochloride；3-(hydroxyamino)propan-1-ol;hydrochloride
• CAS: 868551-41-1
• 化学式: C₃H₉NO₂*ClH
• 分子量: 127.571
• InChiKey: FQZPXQKWOPMSOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.23
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.5
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-fluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid 、 N-(3-hydroxypropyl) hydroxylamine hydrochloride 生成 1-(4-fluorobenzyl)-N-hydroxy-N-(3-hydroxypropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
  参考文献：
  名称：

  Inhibitors of the HIV integrase enzyme

  摘要：

  本发明涉及公式（I）的化合物，以及其药学上可接受的盐和溶剂化物，它们的合成以及它们作为人类免疫缺陷病毒（“HIV”）整合酶酶的调节剂或抑制剂的用途。

  公开号：

  US20050277662A1
• 作为产物：
  描述：

  ethyl 3-methyl-5-oxo-2-[(3-tert-butyldimethylsilanoxyl)propyl]-2,5-dihydroisoxazole-4-carboxylate 在 盐酸 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 8.0h， 以100%的产率得到N-(3-hydroxypropyl) hydroxylamine hydrochloride
  参考文献：
  名称：

  Azaindole Hydroxamic Acids are Potent HIV-1 Integrase Inhibitors

  摘要：

  HIV-1 integrase (IN) is one of three enzymes encoded by the HIV genome and is essential for viral replication. Recently, HIV-1 IN inhibitors have emerged as a new promising class of therapeutics. Herein, we report the discovery of azaindole carboxylic acids and azaindole hydroxamic acids as potent inhibitors of the HIV-1 IN enzyme and their structure-activity relationships. Several 4-fluorobenzyl substituted azaindole hydroxamic acids showed potent antiviral activities in cell-based assays and offered a structurally simple scaffold for the development of novel HIV-1 IN inhibitors.

  DOI：

  10.1021/jm900862n

文献信息

• Azaindole Hydroxamic Acids are Potent HIV-1 Integrase Inhibitors
  作者：Michael B. Plewe、Scott L. Butler、Klaus R. Dress、Qiyue Hu、Ted W. Johnson、Jon E. Kuehler、Atsuo Kuki、Hieu Lam、Wen Liu、Dawn Nowlin、Qinghai Peng、Sadayappan V. Rahavendran、Steven P. Tanis、Khanh T. Tran、Hai Wang、Anle Yang、Junhu Zhang

  DOI：10.1021/jm900862n

  日期：2009.11.26

  HIV-1 integrase (IN) is one of three enzymes encoded by the HIV genome and is essential for viral replication. Recently, HIV-1 IN inhibitors have emerged as a new promising class of therapeutics. Herein, we report the discovery of azaindole carboxylic acids and azaindole hydroxamic acids as potent inhibitors of the HIV-1 IN enzyme and their structure-activity relationships. Several 4-fluorobenzyl substituted azaindole hydroxamic acids showed potent antiviral activities in cell-based assays and offered a structurally simple scaffold for the development of novel HIV-1 IN inhibitors.
• Inhibitors of the HIV integrase enzyme
  申请人：Dress Ruprecht Klaus

  公开号：US20050277662A1

  公开（公告）日：2005-12-15

  The present invention is directed to compounds of formula (I), and pharmaceutically acceptable salts and solvates thereof, their synthesis, and their use as modulators or inhibitors of the human immunodeficiency virus (“HIV”) integrase enzyme.

  本发明涉及公式（I）的化合物，以及其药学上可接受的盐和溶剂化物，它们的合成以及它们作为人类免疫缺陷病毒（“HIV”）整合酶酶的调节剂或抑制剂的用途。