2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide tetrahydrochloride 2-water

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide tetrahydrochloride 2-water
• 英文别名: 2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide monohydrochloride water；2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide;hydrate;hydrochloride
• 化学式: C₂₃H₃₀N₆OS₃*4ClH*2H₂O
• 分子量: 684.603
• InChiKey: QIWOHSGKKRPANP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  154
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 0.25h， 以73%的产率得到2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide tetrahydrochloride 2-water
  参考文献：
  名称：

  PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND

  摘要：

  公开号：

  EP1598346B1

文献信息

• Process for producing acid adduct salt of polyacidic base compound
  申请人：Shibuya Kimiyuki

  公开号：US20060079688A1

  公开（公告）日：2006-04-13

  This invention relates to a method for preparing an acid addition salt of a polyacidic basic compound, or a water adduct having basic site(s) stronger than pyridine. The method comprises reacting the polyacidic basic compound with an acid salt of pyridine. By the present invention, the number of moles of an added acid in the acid addition salt of the polyacidic basic compound can be readily changed to a number suited for the polyacidic basic compound as needed.

  本发明涉及一种制备多酸性碱性化合物的酸加成盐或具有比吡啶更强碱性位点的水加合物的方法。该方法包括将多酸性碱性化合物与吡啶酸盐反应。通过本发明，可以根据需要轻松地改变添加的酸的摩尔数，以适合多酸性碱性化合物。
• METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS
  申请人：Shibuya Kimiyuki

  公开号：US20100234599A1

  公开（公告）日：2010-09-16

  This invention relates to a method for preparing an acid addition salt of a polyacidic basic compound, or a water adduct having basic site(s) stronger than pyridine. The method comprises reacting the polyacidic basic compound with an acid salt of pyridine. By the present invention, the number of moles of an added acid in the acid addition salt of the polyacidic basic compound can be readily changed to a number suited for the polyacidic basic compound as needed.

  本发明涉及一种制备多酸性碱性化合物的酸加成盐或具有比吡啶更强碱位的水加合物的方法。该方法包括将多酸性碱性化合物与吡啶酸盐反应。通过本发明，可以根据需要轻松改变酸加成盐中添加的酸的摩尔数，以适应多酸性碱性化合物。
• Method for preparing acid addition salts of polyacidic basic compounds
  申请人：Shibuya Kimiyuki

  公开号：US08518936B2

  公开（公告）日：2013-08-27

  Monohydrochloride acid addition salts of a polyacidic basic compound, or a water adduct having basic site(s) stronger than pyridine. These monohydrochlorides can be produced by reacting a polyacidic basic compound with an acid salt of pyridine.

  一种多酸性碱性化合物的单盐酸加成盐，或者是具有比吡啶更强碱性位点的水加合物。这些单盐酸可以通过将多酸性碱性化合物与吡啶的酸盐反应而制得。