4-dipropylamino-3,5-dinitrobenzoic acid | 2347-38-8

• 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-dipropylamino-3,5-dinitrobenzoic acid
• 英文别名: 4-dipropylamino-3,5-dinitro-benzoic acid；4-Dipropylamino-3,5-dinitro-benzoesaeure；4-(Dipropylamino)-3,5-dinitrobenzoic acid
• CAS: 2347-38-8
• 化学式: C₁₃H₁₇N₃O₆
• 分子量: 311.294
• InChiKey: XTHSJCATZGIZLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-dipropylamino-3,5-dinitrobenzoic acid 在 吡啶 、 氯化亚砜 作用下， 生成 4-dipropylamino-3,5-dinitro-benzoic acid methyl ester
  参考文献：
  名称：

  van Duin, Recueil des Travaux Chimiques des Pays-Bas, 1954, vol. 73, p. 68,71

  摘要：

  DOI：
• 作为产物：
  描述：

  二正丙胺 、 4-氯-3,5-二硝基苯甲酸 以 甲醇 为溶剂， 反应 3.0h， 以96%的产率得到4-dipropylamino-3,5-dinitrobenzoic acid
  参考文献：
  名称：

  Antikinetoplastid antimitotic activity and metabolic stability of dinitroaniline sulfonamides and benzamides

  摘要：

  N-1-Phenyl-3,5-dinitro-N-4,N-4-di-n-propylsulfanilamide (1) and N-1-phenyl-3,5-dinitro-N-4,N-4-di-n-butylsulfanilamide (2) show potent in vitro antimitotic activity against kinetoplastid parasites but display poor in vivo activity. Seventeen new dinitroaniline sulfonamide and eleven new benzamide analogs of these leads are reported here. Nine of the sulfonamides display in vitro IC50 values under 500 nM against African trypanosomes, and the most active antikinetoplastid compounds also inhibit the in vitro assembly of purified leishmanial tubulin with potencies similar to that of 2. While several of the potent compounds are rapidly degraded by rat liver S9 fractions in vitro, N-1-(3-hydroxy)phenyl-3,5-dinitro-N-4,N-4-di-n-butylsulfanilamide (21) displays an IC50 value of 260 nM against African trypanosomes in vitro and is more stable than 2 in the in vitro metabolism assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.04.017

文献信息

• Benbow, John W.; Bernberg, Erin L.; Korda, Anna, Antimicrobial Agents and Chemotherapy, 1998, vol. 42, # 2, p. 339 - 343
  作者：Benbow, John W.、Bernberg, Erin L.、Korda, Anna、Mead, Jan R.

  DOI：——

  日期：——
• SALTS OF PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1091958A1

  公开（公告）日：2001-04-18
• METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS
  申请人：Seattle Children's Hospital (dba Seattle Children's Research Institute)

  公开号：US20210317407A1

  公开（公告）日：2021-10-14

  Some embodiments of the methods and compositions provided herein relate to the use of hapten labeled cells to stimulate chimeric antigen receptor (CAR) T cells. In some embodiments, CAR T cells can include a CAR that specifically binds to a hapten. Some embodiments relate to the in vivo or in vitro stimulation CAR T cells by hapten labeled cells.
• US4806151A
  申请人：——

  公开号：US4806151A

  公开（公告）日：1989-02-21
• [EN] SALTS OF PAROXETINE<br/>[FR] SELS DE PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000001692A1

  公开（公告）日：2000-01-13

  Piperidine compounds, processes for preparing them, pharmaceutical compositions comprising them and their use in therapy are disclosed.