N-(4-methoxy-5-isoquinolyl)-1,4-cyclohexanediamine hydrochloride | 651308-10-0

• 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: N-(4-methoxy-5-isoquinolyl)-1,4-cyclohexanediamine hydrochloride
• 英文别名: 4-N-(4-methoxyisoquinolin-5-yl)cyclohexane-1,4-diamine;hydrochloride
• CAS: 651308-10-0
• 化学式: C₁₆H₂₁N₃O*ClH
• 分子量: 307.823
• InChiKey: SQFUOJDCMCHXES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  60.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(tert-butoxycarbonyl)-N'-(4-methoxy-5-isoquinolyl)-1,4-cyclohexanediamine 、 甲醇盐酸 在 甲醇 、 乙醚 作用下， 反应 2.0h， 以to obtain the title compound (348 mg) as light yellow powdery solid的产率得到N-(4-methoxy-5-isoquinolyl)-1,4-cyclohexanediamine hydrochloride
  参考文献：
  名称：

  5-substituted isoquinoline derivatives

  摘要：

  下列化合物的分子式（1）或其盐：其中，R1代表氢原子、卤原子等；R2代表氢原子、卤原子、C1-6烷基等；R3代表-O-X-C（A1）（A11）-C（A2）（A21）-N（A31）（A3）（X代表丙烯基等，A11和A21代表氢原子或C1-6烷基，A31代表一个带有羟基取代的C1-6烷基或氢原子，A1、A2和A3代表氢原子、C1-6烷基等），该化合物具有对肌球蛋白调节轻链磷酸化的抑制活性，可用于治疗与各种细胞收缩相关的疾病等。

  公开号：

  US07094789B2

文献信息

• 5-Substituted isoquinoline derivatives
  申请人：Yamada Rintaro

  公开号：US20050020623A1

  公开（公告）日：2005-01-27

  A compound represented by the following formula (1) or a salt thereof: wherein R 1 represents hydrogen atom, a halogen atom and the like; R 2 represents hydrogen atom, a halogen atom, a C 1-6 alkyl group and the like; and R 3 represents —O—X—C(A 1 )(A 11 )—C(A 2 )(A 2l )—N(A 3l )(A 3 )(X represents propylene group etc., A 11 and A 21 represent hydrogen atom, or a C 1-6 alkyl group, A 31 represents a C 1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A 1 , A 2 , and A 3 represent hydrogen atom, a C 1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

  由以下公式（1）表示的化合物或其盐： 其中R1代表氢原子、卤素原子等；R2代表氢原子、卤素原子、C1-6烷基团等；R3代表—O—X—C(A1)(A11)—C(A2)(A21)—N(A31)(A3)（X代表丙烯基等，A11和A21代表氢原子或C1-6烷基团，A31代表被羟基取代的C1-6烷基团或氢原子，A1、A2和A3代表氢原子、C1-6烷基团等）等，该化合物对肌球蛋白调节轻链的磷酸化具有抑制作用，并且对涉及各种细胞收缩等的疾病的治疗有益。
• 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1541559A1

  公开（公告）日：2005-06-15

  A compound represented by the following formula (1) or a salt thereof: wherein R1 represents hydrogen atom, a halogen atom and the like; R2 represents hydrogen atom, a halogen atom, a C1-6 alkyl group and the like; and R3 represents -O-X-C(A1)(A11)-C(A2)(A21)-N(A31)(A3) (X represents propylene group etc., A11 and A21 represent hydrogen atom, or a C1-6 alkyl group, A31 represents a C1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A1, A2, and A3 represent hydrogen atom, a C1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

  下式（1）所代表的化合物或其盐： 其中 R1 代表氢原子、卤素原子等；R2 代表氢原子、卤素原子、C1-6 烷基等；R3 代表-O-X-C(A1)(A11)-C(A2)(A21)-N(A31)(A3) （X 代表丙烯基等）、A11和A21代表氢原子或C1-6烷基，A31代表被羟基或氢原子取代的C1-6烷基，A1、A2和A3代表氢原子、C1-6烷基等）等，对肌球蛋白调节轻链的磷酸化具有抑制活性，可用于治疗与各种细胞收缩有关的疾病等。
• US7094789B2
  申请人：——

  公开号：US7094789B2

  公开（公告）日：2006-08-22
• 5-substituted isoquinoline derivatives
  申请人：Asahi Kasei Pharma Corporation

  公开号：US07094789B2

  公开（公告）日：2006-08-22

  A compound represented by the following formula (1) or a salt thereof: wherein R1 represents hydrogen atom, a halogen atom and the like; R2 represents hydrogen atom, a halogen atom, a C1-6 alkyl group and the like; and R3 represents —O—X—C(A1)(A11)-C(A2)(A21)-N(A31)(A3) (X represents propylene group etc., A11 and A21 represent hydrogen atom, or a C1-6 alkyl group, A31 represents a C1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A1, A2, and A3 represent hydrogen atom, a C1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

  下列化合物的分子式（1）或其盐：其中，R1代表氢原子、卤原子等；R2代表氢原子、卤原子、C1-6烷基等；R3代表-O-X-C（A1）（A11）-C（A2）（A21）-N（A31）（A3）（X代表丙烯基等，A11和A21代表氢原子或C1-6烷基，A31代表一个带有羟基取代的C1-6烷基或氢原子，A1、A2和A3代表氢原子、C1-6烷基等），该化合物具有对肌球蛋白调节轻链磷酸化的抑制活性，可用于治疗与各种细胞收缩相关的疾病等。