4-[(Trifluoromethylsulfonylamino)methyl]benzoic acid | 774538-43-1

• 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: 4-[(Trifluoromethylsulfonylamino)methyl]benzoic acid
• CAS: 774538-43-1
• 化学式: C₉H₈F₃NO₄S
• mdl: MFCD11550643
• 分子量: 283.228
• InChiKey: MRCCNIDPOJGSIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[(Trifluoromethylsulfonylamino)methyl]benzoic acid 、 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Structure Optimization of Aloperine Derivatives as HIV-1 Entry Inhibitors

  摘要：

  As a step toward developing novel anti-HIV agents, we have identified a class of quinolizidines, including aloperine, which inhibit HIV at 1-5 mu M by blocking viral entry. In this study, we have optimized the structure of aloperine and derived com-pounds with markedly improved activity. Our structural optimization has yielded an aloperine derivative 19 with approximate-ly a 15-fold increase in anti-HIV-1 activity. Our mechanism of action study reveals that compound 19 does not inhibit binding of HIV-1 to receptors, but arrest the virus from fusion with the membrane. Binding of the compound to HIV-1gp120 might be responsible for its anti-HIV-1 entry activity.

  DOI：

  10.1021/acsmedchemlett.7b00376

文献信息

• Direct access to isoindolines through tandem Rh(<scp>iii</scp>)-catalyzed alkenylation and cyclization of N-benzyltriflamides
  作者：Neeraj Kumar Mishra、Jihye Park、Satyasheel Sharma、Sangil Han、Mirim Kim、Youngmi Shin、Jinbong Jang、Jong Hwan Kwak、Young Hoon Jung、In Su Kim

  DOI：10.1039/c3cc49486a

  日期：——

  The rhodium-catalyzed oxidative alkenylation of N-benzyltriflamides with olefins followed by an intramolecular cyclization via C–H bond activation is described.

  描述了一种通过铑催化的氧化烯烃化反应，将N-苄基三氟甲基酰胺与烯烃反应，然后通过分子内环化反应，通过C-H键活化实现。