4,5-Diamino-2-isopropyl-toluol | 4571-19-1

• 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: 4,5-Diamino-2-isopropyl-toluol
• 英文别名: 4-Methyl-5-propan-2-ylbenzene-1,2-diamine
• CAS: 4571-19-1
• 化学式: C₁₀H₁₆N₂
• 分子量: 164.25
• InChiKey: GDLIXNHQYJXNLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-Diamino-2-isopropyl-toluol 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2-Chloro-6-isopropyl-5-methyl-1H-benzoimidazole
  参考文献：
  名称：

  4-(2-Pyridyl)piperazine-1-benzimidazoles as potent TRPV1 antagonists

  摘要：

  A series of 4-(2-pyridyl)piperazine-1-benzimidazole analogues based on compound I was synthesized and evaluated for TRPV1 antagonist activity in capsaicin-induced (CAP) and pH5.5-induced (pH) FLIPR assays in a human TRPV1 -expressing HEK293 cell line. Potent TRPV1 antagonists were identified through SAR studies. From these studies, several antagonists were found, with IC50 values ranging from 32nM to similar to5000nM. Among these, 11 [IC50 = 90nM (CAP) and 104nM (pH)] was further evaluated and found to be orally available in rats (F% = 19.7). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.021
• 作为产物：
  描述：

  4-Acetamino-2-isopropyl-toluol 在 氢氧化钾 、 硫酸 、 potassium nitrate 、 锌 作用下， 以 溶剂黄146 为溶剂， 生成 4,5-Diamino-2-isopropyl-toluol
  参考文献：
  名称：

  Chekhuta,V.G.; Burmistrov,S.I., Journal of Organic Chemistry USSR (English Translation), 1965, vol. 1, p. 1869 - 1872

  摘要：

  DOI：

文献信息

• Benzimidazoles
  申请人：Edwards L. Michael

  公开号：US20060014756A1

  公开（公告）日：2006-01-19

  The invention is directed to physiologically active compounds of the general formula (Ix) and compositions containing such compounds, and their prodrugs, and pharmaceutically acceptable salts and solvates of such compounds and their prodrugs, as well as to novel compounds within the scope of formula (Ix), and to processes for their preparation. Such compounds and compositions have valuable pharmaceutical properties, in particular the ability to inhibit kinases.

  本发明涉及一般式（Ix）的生理活性化合物及含有这种化合物的组合物，以及它们的前药、药学上可接受的盐和溶剂化物，还涉及在式（Ix）范围内的新化合物和它们的制备方法。这种化合物和组合物具有有价值的药物性质，特别是抑制激酶的能力。
• BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1441725A1

  公开（公告）日：2004-08-04
• PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS
  申请人：Oslob Johan D.

  公开号：US20110059976A1

  公开（公告）日：2011-03-10

  The present invention provides compounds having the formula: wherein A-B together represent one of the following structures: and n, R 1 , R 2 , R 3 , R 4 , L 1 , L 2 , Y and Z are as defined in classes and subclasses herein, and pharmaceutical compositions thereof, as described generally and in subclasses herein, which compounds are useful as inhibitors of protein kinase (e.g., RAF), and thus are useful, for example, for the treatment of RAF mediated diseases.
• US6897208B2
  申请人：——

  公开号：US6897208B2

  公开（公告）日：2005-05-24
• US7767687B2
  申请人：——

  公开号：US7767687B2

  公开（公告）日：2010-08-03