3-(3,4-dichlorophenyl)-5-methyl-4H-[1,2,4]triazole | 1094730-06-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3,4-dichlorophenyl)-5-methyl-4H-[1,2,4]triazole
• 英文别名: 5-(3,4-dichlorophenyl)-3-methyl-1H-1,2,4-triazole；3-(3,4-dichlorophenyl)-5-methyl-1H-1,2,4-triazole
• CAS: 1094730-06-9
• 化学式: C₉H₇Cl₂N₃
• mdl: MFCD11215127
• 分子量: 228.081
• InChiKey: ZHVSVBLFNHSAST-UHFFFAOYSA-N

物化性质

• 沸点：
  418.0±55.0 °C(Predicted)
• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• SMALL MOLECULE MODULATORS OF CELL ADHESION
  申请人：Gupta Mukur

  公开号：US20090291967A1

  公开（公告）日：2009-11-26

  Compounds, particularly compounds having activity as modulators of cadherin-mediated cell adhesion having the following structure: or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , A, X, Y, Z, m and n are as defined herein. Methods associated with preparation and use of the same, as well as pharmaceutical compositions containing the same, are also disclosed.

  化合物，特别是具有作为调节cadherin介导的细胞粘附活性的化合物，具有以下结构：或其药用盐、立体异构体或前药，其中R1、R2、R3、R4、R5、R6、A、X、Y、Z、m和n如本文所定义。与其制备和使用相关的方法，以及含有该化合物的药物组合物也被披露。
• COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM
  申请人：TAKEMOTO Hiroshi

  公开号：US20100022542A1

  公开（公告）日：2010-01-28

  Pharmaceutical compositions containing as an active ingredient compounds of the general formula (I), prodrugs of the same, pharmaceutically acceptable salts of both, or solvates of them and exhibiting thrombopoietin receptor agonism: X 1 —Y 1 -Z 1 -W 1 (I) wherein X 1 is optionally substituted aryl, optionally substituted heteroaryl or the like; Y 1 is —NR A CO—(CH 2 ) 0-2 — or the like (wherein R A is a hydrogen or the like); Z 1 is optionally substituted phenylene or the like; and W 1 is a group represented by the below formula: wherein R 1 , R 2 , R 3 , and R 4 are each independently a hydrogen atom, optionally substituted lower alkyl or the like, a broken line (---) represents the presence or absence of bond.
• US7582665B2
  申请人：——

  公开号：US7582665B2

  公开（公告）日：2009-09-01