[5-(Imidazol-1-ylmethyl)thiophen-2-yl]methanamine | 893743-37-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [5-(Imidazol-1-ylmethyl)thiophen-2-yl]methanamine
• CAS: 893743-37-8
• 化学式: C₉H₁₁N₃S
• 分子量: 193.272
• InChiKey: KPFGZWOGSLTPMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [5-(Imidazol-1-ylmethyl)thiophen-2-yl]methanamine 、 (4R,5R)-5-[(2R)-2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Structure and activity relationships of tartrate-based TACE inhibitors

  摘要：

  The syntheses and structure-activity relationships of the tartrate-based TACE inhibitors are discussed. The optimization of both the prime and non-prime sites led to compounds with picomolar activity. Several analogs demonstrated good rat pharmacokinetics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.104
• 作为产物：
  描述：

  在 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 [5-(Imidazol-1-ylmethyl)thiophen-2-yl]methanamine
  参考文献：
  名称：

  Structure and activity relationships of tartrate-based TACE inhibitors

  摘要：

  The syntheses and structure-activity relationships of the tartrate-based TACE inhibitors are discussed. The optimization of both the prime and non-prime sites led to compounds with picomolar activity. Several analogs demonstrated good rat pharmacokinetics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.104

文献信息

• Structure and activity relationships of tartrate-based TACE inhibitors
  作者：Dansu Li、Janeta Popovici-Muller、David B. Belanger、John Caldwell、Chaoyang Dai、Maria David、Vinay M. Girijavallabhan、Brian J. Lavey、Joe F. Lee、Zhidan Liu、Rob Mazzola、Razia Rizvi、Kristin E. Rosner、Bandarpalle Shankar、Jim Spitler、Pauline C. Ting、Henry Vaccaro、Wensheng Yu、Guowei Zhou、Zhaoning Zhu、Xiaoda Niu、Jing Sun、Zhuyan Guo、Peter Orth、Shiying Chen、Joseph A. Kozlowski、Daniel J. Lundell、Vincent Madison、Brian McKittrick、John J. Piwinski、Neng-Yang Shih、Gerald W. Shipps、M. Arshad Siddiqui、Corey O. Strickland

  DOI：10.1016/j.bmcl.2010.06.104

  日期：2010.8

  The syntheses and structure-activity relationships of the tartrate-based TACE inhibitors are discussed. The optimization of both the prime and non-prime sites led to compounds with picomolar activity. Several analogs demonstrated good rat pharmacokinetics. (C) 2010 Elsevier Ltd. All rights reserved.