3-(1-methylpiperidin-4-yloxy)-5-(trifluoromethyl)benzoic acid | 1021535-41-0

• 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: 3-(1-methylpiperidin-4-yloxy)-5-(trifluoromethyl)benzoic acid
• 英文别名: 3-(1-Methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoic acid
• CAS: 1021535-41-0
• 化学式: C₁₄H₁₆F₃NO₃
• 分子量: 303.281
• InChiKey: NASPPFHNCDDUNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(1-methylpiperidin-4-yloxy)-5-(trifluoromethyl)benzoic acid 、 2-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-yl)-1H-benzo[d]imidazol-5-amine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以20.7%的产率得到3-((1-methylpiperidin-4-yl)oxy)-N-(2-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-yl)-1H-benzo[d]imidazol-5-yl)-5-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Rational design and synthesis of 2-(1H-indazol-6-yl)-1H-benzo[d]imidazole derivatives as inhibitors targeting FMS-like tyrosine kinase 3 (FLT3) and its mutants

  摘要：

  DOI：

  10.1080/14756366.2021.2020772

文献信息

• COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA
  申请人：Chatterjee Arnab K.

  公开号：US20110144107A1

  公开（公告）日：2011-06-16

  The invention provides a class of compounds of formula I, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent malaria.

  本发明提供了一类I式化合物，包括这些化合物的药物组合物和使用这些化合物治疗或预防疟疾的方法。
• Discovery of pyrimidine benzimidazoles as Src-family selective Lck inhibitors. Part II
  作者：Guobao Zhang、Pingda Ren、Nathanael S. Gray、Taebo Sim、Xia Wang、Yi Liu、Jianwei Che、Weitong Dong、Shin-Shay Tian、Mark L. Sandberg、Tracy A. Spalding、Russell Romeo、Maya Iskandar、Zhiliang Wang、H. Martin Seidel、Donald S. Karanewsky、Yun He

  DOI：10.1016/j.bmcl.2009.09.123

  日期：2009.12

  A series of 4-amino-6-benzimidazole-pyrimidines was designed to target lymphocyte-specific tyrosine kinase (Lck), a member of the Src-family kinases (SFKs). These type II inhibitors were optimized using a cellular Lck-dependent proliferation assay and are capable of inhibiting Lck at single-digit nanomolar concentrations. This scaffold is likely to serve a valuable template for developing potent inhibitors of a number of SFKs. (C) 2009 Elsevier Ltd. All rights reserved.
• [EN] COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA<br/>[FR] COMPOSÉS ET COMPOSITIONS UTILES POUR LE TRAITEMENT DE LA MALARIA
  申请人：IRM LLC

  公开号：WO2009152356A2

  公开（公告）日：2009-12-17

  The invention provides a class of compounds of formula I, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent malaria. (I)