S-(2-((3-amino-3-oxopropyl)carbamoyl)phenyl) thiophene-2-carbothioate | 1321605-30-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: S-(2-((3-amino-3-oxopropyl)carbamoyl)phenyl) thiophene-2-carbothioate
• 英文别名: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] thiophene-2-carbothioate
• CAS: 1321605-30-4
• 化学式: C₁₅H₁₄N₂O₃S₂
• 分子量: 334.42
• InChiKey: DWCHJLNMFZMGBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  硫代水杨酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 S-(2-((3-amino-3-oxopropyl)carbamoyl)phenyl) thiophene-2-carbothioate
  参考文献：
  名称：

  A one-pot preparation of N-2-mercaptobenzoyl-amino amides

  摘要：

  The HIV-1 nucleocapsid (NCp7), structurally defined by zinc-binding domains, participates in crucial stages of the HIV-1 lifecycle and is mutationally nonpermissive, making it an attractive anti-HIV target. Mode of action studies have shown that the secondary structure and activity of NCp7 can be disrupted by acyl transfer from N-2-mercaptobenzoyl-amino amides. We have developed an improved one-pot reaction that affords N-2-mercaptobenzoyl-amino acids on multi-gram scales. This synthetic route allows for rapid modular construction and has greatly expanded the scope of easily accessible potential NCp7 inhibitors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.05.115

文献信息

• ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS
  申请人：Inman John K.

  公开号：US20090247473A1

  公开（公告）日：2009-10-01

  Certain thiol and acylthiol compounds inhibit retrovirus growth by attacking the highly conserved zinc finger regions of essential viral proteins. These compounds, compositions containing them, and methods of using them to treat retroviral infections such as HIV are described. These compounds are also useful for preparation of vaccines comprised of inactivated retroviruses such as HIV, prevention of the transmission of such retroviruses, and detection of retroviral proteins.

  某些硫醇和酰硫醇化合物通过攻击必要病毒蛋白质高度保守的锌指区域来抑制逆转录病毒的生长。本文描述了这些化合物、含有它们的组合物以及使用它们治疗逆转录病毒感染（如HIV）的方法。这些化合物还可用于制备由灭活逆转录病毒（如HIV）组成的疫苗，预防这种逆转录病毒的传播以及检测逆转录病毒蛋白质。
• US7528274B2
  申请人：——

  公开号：US7528274B2

  公开（公告）日：2009-05-05
• US8076372B2
  申请人：——

  公开号：US8076372B2

  公开（公告）日：2011-12-13
• A one-pot preparation of N-2-mercaptobenzoyl-amino amides
  作者：Robert J. Bahde、Daniel H. Appella、William C. Trenkle

  DOI：10.1016/j.tetlet.2011.05.115

  日期：2011.8

  The HIV-1 nucleocapsid (NCp7), structurally defined by zinc-binding domains, participates in crucial stages of the HIV-1 lifecycle and is mutationally nonpermissive, making it an attractive anti-HIV target. Mode of action studies have shown that the secondary structure and activity of NCp7 can be disrupted by acyl transfer from N-2-mercaptobenzoyl-amino amides. We have developed an improved one-pot reaction that affords N-2-mercaptobenzoyl-amino acids on multi-gram scales. This synthetic route allows for rapid modular construction and has greatly expanded the scope of easily accessible potential NCp7 inhibitors. Published by Elsevier Ltd.