3,5,6,7-四氢咪唑并[4,5-f]吲哚-2(1H)-硫酮 | 81864-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 3,5,6,7-四氢咪唑并[4,5-f]吲哚-2(1H)-硫酮
• 英文名称: 1,5,6,7-tetrahydropyrrolo-(2,3-f)benzimidazole-2-thiol
• 英文别名: 3,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazole-2-thione
• CAS: 81864-33-7
• 化学式: C₉H₉N₃S
• 分子量: 191.257
• InChiKey: BMPCOYRSJUNBQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  68.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5,6,7-四氢咪唑并[4,5-f]吲哚-2(1H)-硫酮 、 2-氯甲基吡啶盐酸盐 在 盐酸 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 生成 1,5,6,7-tetrahydro-2-[(pyridin-2-ylmethyl)thio]pyrrolo(2,3-f)benzimidazole trihydrochloride
  参考文献：
  名称：

  Imidazole derivatives

  摘要：

  Tricyclic imidazole derivatives of the formula ##STR1## wherein R.sup.1 is 2-pyridyl optionally substituted by lower alkyl or lower alkoxy, n is the integer 0 or 1, R.sup.2 is hydrogen or lower alkyl, R.sup.3 and R.sup.4, independently, are hydrogen or lower alkyl, A is a group of the formula ##STR2## m is the integer 2 or 3, R.sup.5, R.sup.6, R.sup.7 and R.sup.8, independently, are hydrogen or lower alkyl, and R.sup.9 is hydrogen and R.sup.10 is hydrogen or lower alkyl or R.sup.9 and R.sup.10 taken together are oxo, provided that at least one of R.sup.3 and R.sup.4 is lower alkyl when A is a group of the formula --CH.dbd.CH--CH.dbd.CH-- or --(CH.sub.2).sub.4 --, and their pharmaceutically acceptable acid addition salts. The compounds of formula I inhibit gastric acid secretion and prevent the formation of gastric ulcers.

  公开号：

  US04435406A1
• 作为产物：
  描述：

  5,6-diamino-indoline dihydrochloride 、 1,2-diamino-4,5-methylenedioxybenzene dihydrochloride 生成 3,5,6,7-四氢咪唑并[4,5-f]吲哚-2(1H)-硫酮
  参考文献：
  名称：

  Imidazole derivatives

  摘要：

  Tricyclic imidazole derivatives of the formula ##STR1## wherein R.sup.1 is 2-pyridyl optionally substituted by lower alkyl or lower alkoxy, n is the integer 0 or 1, R.sup.2 is hydrogen or lower alkyl, R.sup.3 and R.sup.4, independently, are hydrogen or lower alkyl, A is a group of the formula ##STR2## m is the integer 2 or 3, R.sup.5, R.sup.6, R.sup.7 and R.sup.8, independently, are hydrogen or lower alkyl, and R.sup.9 is hydrogen and R.sup.10 is hydrogen or lower alkyl or R.sup.9 and R.sup.10 taken together are oxo, provided that at least one of R.sup.3 and R.sup.4 is lower alkyl when A is a group of the formula --CH.dbd.CH--CH.dbd.CH-- or --(CH.sub.2).sub.4 --, and their pharmaceutically acceptable acid addition salts. The compounds of formula I inhibit gastric acid secretion and prevent the formation of gastric ulcers.

  公开号：

  US04435406A1

文献信息

• Pyridyl methyl thio or sulfinyl indeno(5,6-d)imidazoles
  申请人：Hoffmann-La Roche Inc.

  公开号：US04554280A1

  公开（公告）日：1985-11-19

  Tricyclic imidazole derivatives of the formula ##STR1## wherein R.sup.1 is 2-pyridyl optionally substituted by lower alkyl or lower alkoxy, n is the integer 0 or 1, R.sup.2 is hydrogen or lower alkyl, R.sup.3 and R.sup.4, independently, are hydrogen or lower alkyl, A is a group of the formula ##STR2## m is the integer 2 or 3, R.sup.5, R.sup.6, R.sup.7 and R.sup.8, independently, are hydrogen or lower alkyl, and R.sup.9 is hydrogen and R.sup.10 is hydrogen or lower alkyl or R.sup.9 and R.sup.10 taken together are oxo, provided that at least one of R.sup.3 and R.sup.4 is lower alkyl when A is a group of the formula --CH.dbd.CH--CH.dbd.CH-- or --(CH.sub.2).sub.4 --, and their pharmaceutically acceptable acid addition salts. The compounds of formula I inhibit gastric acid secretion and prevent the formation of gastric ulcers.

  公式为 ##STR1## 的三环咪唑衍生物，其中R.sup.1是2-吡啶基，可选择地被低烷基或低烷氧基取代，n是整数0或1，R.sup.2是氢或低烷基，R.sup.3和R.sup.4独立地是氢或低烷基，A是公式 ##STR2## 的基团，m是整数2或3，R.sup.5，R.sup.6，R.sup.7和R.sup.8独立地是氢或低烷基，R.sup.9是氢，R.sup.10是氢或低烷基或R.sup.9和R.sup.10一起是氧代，但当A是公式--CH.dbd.CH--CH.dbd.CH--或--（CH.sub.2）.sub.4--的基团时，至少R.sup.3和R.sup.4中的一个是低烷基，它们的药学上可接受的酸盐。公式I的化合物抑制胃酸分泌并预防胃溃疡的形成。
• Tetrahydro-naphth (2.3-d) imidazole derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04599347A1

  公开（公告）日：1986-07-08

  Tricyclic imidazole derivatives of the formula ##STR1## wherein R.sup.1 is 2-pyridyl optionally substituted by lower alkyl or lower alkoxy, n is the integer 0 to 1, R.sup.2 is hydrogen or lower alkyl, R.sup.3 and R.sup.4, independently, are hydrogen or lower alkyl, A is a group of the formula ##STR2## m is the integer 2 or 3, R.sup.5, R.sup.6, R.sup.7 and R.sup.8, independently, are hydrogen or lower alkyl, and R.sup.9 is hydrogen and R.sup.10 is hydrogen or lower alkyl or R.sup.9 and R.sup.10 taken together are oxo, provided that at least one of R.sup.3 and R.sup.4 is lower alkyl when A is a group of the formula --CH.dbd.CH--CH.dbd.CH-- or --(CH.sub.2).sub.4 --, and their pharmaceutically acceptable acid addition salts. The compounds of formula I inhibit gastric acid secretion and prevent the formation of gastric ulcers.

  公式为##STR1##的三环咪唑衍生物，其中R.sup.1是2-吡啶基，可选择性地被低烷基或低烷氧基取代，n为整数0至1，R.sup.2为氢或低烷基，R.sup.3和R.sup.4独立地为氢或低烷基，A为公式##STR2##的基团，m为整数2或3，R.sup.5、R.sup.6、R.sup.7和R.sup.8独立地为氢或低烷基，R.sup.9为氢，R.sup.10为氢或低烷基，或R.sup.9和R.sup.10共同为氧代，但当A为--CH.dbd.CH--CH.dbd.CH--或--(CH.sub.2).sub.4--的基团时，R.sup.3和R.sup.4中至少有一个为低烷基。这些公式I的化合物能够抑制胃酸分泌并预防胃溃疡的形成，其药物可接受的酸盐。
• US4435406A
  申请人：——

  公开号：US4435406A

  公开（公告）日：1984-03-06
• US4554280A
  申请人：——

  公开号：US4554280A

  公开（公告）日：1985-11-19
• US4599347A
  申请人：——

  公开号：US4599347A

  公开（公告）日：1986-07-08