1,6-二(胍基)己烷硫酸盐 | 6966-26-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: 1,6-二(胍基)己烷硫酸盐
• 英文名称: 1,6-hexanediguanidinium sulphate
• 英文别名: N,N'''-hexanediyl-di-guanidine; sulfate；N,N'''-Hexandiyl-di-guanidin; Sulfat；1,6-bis(guanidino)hexane sulfate；diaminomethylidene-[6-(diaminomethylideneazaniumyl)hexyl]azanium;sulfate
• CAS: 6966-26-3
• 化学式: C₈H₂₀N₆*H₂O₄S
• 分子量: 298.366
• InChiKey: FNHVGMUTFGZIDG-UHFFFAOYSA-N

物化性质

• 熔点：
  >350°C
• 溶解度：
  酸性水溶液（轻微），碱性水溶液（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.56
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  212
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,6-二(胍基)己烷硫酸盐 、 4-氯异硫氰酸苯酯 在 sodium 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 1,6-Bis(p-chlorophenylthiocarbamylguanidino)hexane diacetate
  参考文献：
  名称：

  Carbamylguanidine antimicrobial compounds

  摘要：

  本文披露了具有公式Z-B-Y-B-Z的抗微生物化合物，其中B是氨基甲酰胍基或硫氨基甲酰胍基；Y是双价的碳氢基团，可以是脂肪族、脂环族或芳香族，或者是脂肪族与脂环族或芳香族的组合；Z可以代表许多基团，如烷基、环烷基、芳基、芳基烷基、烷氧基烷基、芳氧基烷基、烷硫基烷基或苯硫基烷基。

  公开号：

  US04163022A1
• 作为产物：
  描述：

  1,6-己二胺 、 S-甲基异硫脲硫酸盐 以 水 为溶剂， 反应 20.0h， 以57%的产率得到1,6-二(胍基)己烷硫酸盐
  参考文献：
  名称：

  I 2 -Imidazoline Binding Site Affinity of a Structurally Different Type of Ligands

  摘要：

  Two families of compounds with affinity towards the I-2 imidazoline binding sites are reported. The first is a family of compounds structurally related to agmatine with two guanidine or 2-aminoimidazoline groups at each end of an aliphatic chain of six, eight, nine or 12 methylene groups. Second, and following the model of clonidine, we propose another family of compounds also with two guanidine or 2-aminoimidazoline groups at each end of a chain consisting of two phenyl rings connected by groups such as CH2, CO, NH and SO2, The affinity of the compounds towards the I-2 imidazoline binding sites was then evaluated in human brain tissues. In order to determine their pharmacological selectivity versus alpha(2)-adrenoceptors. the affinity for these receptors was also evaluated for the compounds with the highest affinities at I-2 imidazoline binding sites. The results obtained show that many of the compounds exhibit a considerable affinity towards the I-2 imidazoline binding sites. The aliphatic derivatives, in particular, present a very interesting selectivity for the I-2 imidazoline binding sites versus the alpha(2) adrenoceptors. To better understand these findings, mono-guanidinium analogues of the aliphatic derivatives were synthesised and tested showing poor affinity for I-2 imidazoline binding sites. The importance of these results lies in the novelty of the chemical structures studied (dicationic aliphatic compounds particularly) because they are significantly different to those of the I-2 imidazoline binding site ligands reported to date. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(01)00420-5

文献信息

• US4022962A
  申请人：——

  公开号：US4022962A

  公开（公告）日：1977-05-10
• US4115447A
  申请人：——

  公开号：US4115447A

  公开（公告）日：1978-09-19
• US4115448A
  申请人：——

  公开号：US4115448A

  公开（公告）日：1978-09-19
• US4163022A
  申请人：——

  公开号：US4163022A

  公开（公告）日：1979-07-31