1-(1,3-Dihydroxy-isopropyl)-isochinolin | 22188-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(1,3-Dihydroxy-isopropyl)-isochinolin
• 英文别名: 2-isoquinolin-1-yl-propane-1,3-diol；2-Isoquinolin-1-ylpropane-1,3-diol
• CAS: 22188-48-3
• 化学式: C₁₂H₁₃NO₂
• 分子量: 203.241
• InChiKey: HYKMHAUKRPXVMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• N-substituted [bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them
  申请人：RICHTER GEDEON VEGYESZETI GYAR R.T.

  公开号：EP0142740A1

  公开（公告）日：1985-05-29

  The subject matter of the application are new N-substituted (bis(hydroxymethyl)-methyl]-isoquinoline derivatives of the formula (I) wherein R' and R2 represent hydroxyl or alkoxy having from 1 to 6 carbon atoms, the dotted line is an optional second bond in the 1,2-position, R' is alkyl having from 1 to 6 carbon atoms or aralkyl containing from 1 to 4 carbon atoms in the alkyl moiety, or-if there is a single bond in the 1,2-position -further may represent a group of the formula in which either X is oxygen and R4 is alkyl having from 1 to 5 carbon atoms, alkoxy having from 1 to 4 carbon atoms, hydroxyl or phenyl, optionally substituted, preferably by one or more alkyl having from 1 to 4 carbon atoms, alkoxy having from 1 to 4 carbon atoms, halogen and/or nitro, or is an -NH2, -NH-C1-4-alkyl, -NH-C3-6-cycloalkyl, -NH-phenyl or -NH-C1-4-alkyl-phenyl group; or X is sulfur and R4 is an -NH2, -NH-C1-4-alkyl, -NH-C3-6-cycloslkyl, -NH-phenyl or -NH-C1-4-alkyl-phenyl group; and further R1 and R1 indepandently stand for hydrogen, alkyl having from 1 to 4 carbon atoms or phenyl, with the proviso that at least one of them is other than phenyl, and salts thereof as well as a process for preparing these compounds and pharmaceutical compositions containing them.

  本申请的主题是新的 N-取代(双(羟甲基)-甲基]-异喹啉衍生物，其式为 (I) 其中 R' 和 R2 代表羟基或具有 1 至 6 个碳原子的烷氧基，虚线为 1,2 位上任选的第二键、 R'是具有 1 至 6 个碳原子的烷基或在烷基中含有 1 至 4 个碳原子的芳烷基，或者--如果在 1,2 位上有单键--还可以代表式（I）中的一个基团。 其中 X 是氧和 R4 是具有 1 至 5 个碳原子的烷基、具有 1 至 4 个碳原子的烷氧基、羟基或苯基，可选被一个或多个具有 1 至 4 个碳原子的烷基、具有 1 至 4 个碳原子的烷氧基、卤素和/或硝基取代，或者是-NH2、-NH-C1-4-烷基、-NH-C3-6-环烷基、-NH-苯基或-NH-C1-4-烷基-苯基基团； 或 X 为硫且 R4 是-NH2、-NH-C1-4-烷基、-NH-C3-6-环烷基、-NH-苯基或-NH-C1-4-烷基-苯基；以及 R1 和 R1 独立地代表氢、具有 1 至 4 个碳原子的烷基或苯基，但其中至少有一个不是苯基，及其盐类，以及制备这些化合物和含有这些化合物的药物组合物的工艺。
• [Bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them
  申请人：RICHTER GEDEON VEGYESZETI GYAR R.T.

  公开号：EP0143333A1

  公开（公告）日：1985-06-05

  The subject-matter of the invention are new [bis(hydroxymethyl)-methyl]-isoquinoline derivatives of the formula (I) wherein R1 and R2 represent hydroxyl or alkoxy having from 1 to 6 carbon atoms, R3 is hydrogen or a single electron pair and the dotted line represents an optional second bond, and salts thereof as well as a process for preparing these compounds and pharmaceutical compositions containing them.

  本发明的主题是式（I）的新[双（羟甲基）-甲基]-异喹啉衍生物，其中 R1 和 R2 代表羟基或具有 1 至 6 个碳原子的烷氧基，R3 是氢或单电子对，虚线代表任选的第二键，及其盐类，以及制备这些化合物和含有它们的药物组合物的工艺。
• (Bis(substituted methyl)-methyl)-isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them
  申请人：RICHTER GEDEON VEGYESZETI GYAR R.T.

  公开号：EP0153994A1

  公开（公告）日：1985-09-11

  The subject-matter of the invention are new [bis(substituted methyl)-methyl]-isoquinoline derivatives of the formula (I) wherein R1 and R2 represent hydroxyl or alkoxy having from 1 to 6 carbon atoms, R3 is hydrogen, aralkyl having from 1 to 4 carbon atoms in the alkyl moiety or a group, in which R4 is alkyl having from 1 to 5 carbon atoms or phenyl, optionally substituted, preferably by one or more alkyl having from 1 to 4 carbon atoms, alkoxy having from 1 to 4 carbon atoms, halogen and/or nitro, or is -NH-phenyl, X is oxygen or sulfur, R7 is hydroxyl, halogen or an group, R8 is halogen, alkoxy having from 1 to 4 carbon atoms or an group, in which X has the same meaning as defined above and R9 independently from R4 may have the same meanings as defined for R4, or is an -HH(C1-4-alkyl) or C3-6-cycloalkyl group, and salts thereof as well as a process for preparing these compounds and pharmaceutical compositions containing them.

  本发明的主题是式 (I) 的新[双（取代甲基）-甲基]-异喹啉衍生物 其中 R1 和 R2 代表羟基或具有 1 至 6 个碳原子的烷氧基、 R3 是氢、烷基中含有 1 至 4 个碳原子的芳烷基或一个基团，其中 基团，其中 R4 是具有 1 至 5 个碳原子的烷基或苯基，可选择被一个或多个具有 1 至 4 个碳原子的烷基、具有 1 至 4 个碳原子的烷氧基、卤素和/或硝基取代，或者是-NH-苯基，X 是氧或硫、 R7 是羟基、卤素或一个 基团、 R8 是卤素、具有 1 至 4 个碳原子的烷氧基或一个基团。 基团，其中 X 的含义与上述定义相同，且 与 R4 无关的 R9 可具有与 R4 所定义的相同含义，或者是-HH（C1-4-烷基）或 C3-6- 环烷基、 及其盐类，以及制备这些化合物和含有这些化合物的药物组合物的工艺。
• US4605653A
  申请人：——

  公开号：US4605653A

  公开（公告）日：1986-08-12
• US4668688A
  申请人：——

  公开号：US4668688A

  公开（公告）日：1987-05-26