4-guanidinobenzylamine dihydrochloride | 202979-33-7

• 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-guanidinobenzylamine dihydrochloride
• 英文别名: (4-aminomethyl-phenyl)-guanidine; dihydrochloride；(4-Aminomethyl-phenyl)-guanidin; Dihydrochlorid；N-[4-(Aminomethyl)phenyl]guanidine Dihydrochloride；2-[4-(aminomethyl)phenyl]guanidine;hydrochloride
• CAS: 202979-33-7
• 化学式: C₈H₁₂N₄*2ClH
• 分子量: 237.132
• InChiKey: YFEQUGRLWCPWSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  90.4
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-guanidinobenzylamine dihydrochloride 在 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 Piperazine-1,4-dicarboxylic acid 4-guanidino-benzylamide (naphthalen-2-ylmethyl)-amide
  参考文献：
  名称：

  Monocharged inhibitors of mast cell tryptase derived from potent and selective dibasic inhibitors

  摘要：

  Truncation of potent and selective dibasic inhibitors afforded monocharged inhibitors of human mast-cell tryptase. Using two classes of analogues as lead structures, several monocharged derivatives were identified with Ki values ranging front 0.084 to 0.21 muM against the enzyme. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00444-9

文献信息

• Dibasic inhibitors of human mast cell tryptase. Part 1: Synthesis and optimization of a novel class of inhibitors
  作者：Kenneth D Rice、Anthony R Gangloff、Elaine Y.-L Kuo、Jeffrey M Dener、Vivian R Wang、Robert Lum、William S Newcomb、Chris Havel、Daun Putnam、Lynne Cregar、Martin Wong、Robert L Warne

  DOI：10.1016/s0960-894x(00)00484-4

  日期：2000.10

  The synthesis and optimization of a novel class of reversible and active-site directed dibasic inhibitors of human mast cell tryptase are described. The compounds were shown to be both remarkably potent and selective for tryptase with Ki values for optimized inhibitors in the picomolar range. (C) 2000 Published by Elsevier Science Ltd.