6-hydrazino-3,4-dihydroisoquinolin-1(2H)-one | 352557-07-4

• 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: 6-hydrazino-3,4-dihydroisoquinolin-1(2H)-one
• 英文别名: 6-hydrazinyl-3,4-dihydroisoquinolin-1(2H)-one；6-hydrazino-3,4-dihydro-2H-isoquinolin-1-one；6-hydrazinyl-3,4-dihydro-2H-isoquinolin-1-one
• CAS: 352557-07-4
• 化学式: C₉H₁₁N₃O
• mdl: MFCD13179437
• 分子量: 177.206
• InChiKey: AKUIDUVCFOJVPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-氯丙基)-1,3-二噁戊环 、 6-hydrazino-3,4-dihydroisoquinolin-1(2H)-one 以 乙醇 、 水 为溶剂， 反应 24.0h， 生成 3-(2-aminoethyl)-1,6,7,8-tetrahydro-5H-pyrrolo[2,3-g]isoquinolin-5-one 、 1-(2-aminoethyl)-3,7,8,9-tetrahydro-6H-pyrrolo[3,2-f]isoquinolin-6-one
  参考文献：
  名称：

  Identification of aminoethyl pyrrolo dihydroisoquinolinones as novel poly(ADP-ribose) polymerase-1 inhibitors

  摘要：

  PARP inhibitors have been demonstrated to retard intracellular DNA repair and therefore sensitize tumor cells to cytotoxic agents or ionizing radiation. We report the identification of a novel class of PARP1 inhibitors, containing a pyrrolo moiety fused to a dihydroisoquinolinone, derived from virtual screening of the proprietary collection. SAR exploration around the nitrogen of the aminoethyl appendage chain of 1 led to compounds that displayed low nanomolar activity in a PARP1 enzymatic assay. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.031
• 作为产物：
  描述：

  6-氟-3,4-二氢-2H-异喹啉-1-酮 在 肼 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 6-hydrazino-3,4-dihydroisoquinolin-1(2H)-one
  参考文献：
  名称：

  Pyrrolo-isoquinoline and tetra-hydropyrrolo-isoquinoline derivatives and their use as mediators of the 5-HT7 receptor

  摘要：

  该式化合物在焦虑、抑郁和中枢神经系统相关疾病以及其他疾病（如精神分裂症、睡眠障碍、包括昼夜节律紊乱、酒精和药物戒断治疗以及性功能障碍）的治疗中非常有用。

  公开号：

  US06432974B1

文献信息

• Pyrrolo-isoquinoline and tetra-hydropyrrolo-isoquinoline derivatives and their use as mediators of the 5-HT7 receptor
  申请人：Wyeth

  公开号：US06432974B1

  公开（公告）日：2002-08-13

  Compounds of the formula are useful in the treatment of anxiety, depression and related disorders of the central nervous system and other conditions such as schizophrenia, sleep disorders, including instances of circadian rhythm, the treatment of alcohol and drug withdrawal and sexual dysfunction.

  该式化合物在焦虑、抑郁和中枢神经系统相关疾病以及其他疾病（如精神分裂症、睡眠障碍、包括昼夜节律紊乱、酒精和药物戒断治疗以及性功能障碍）的治疗中非常有用。
• Pyrazoline Compounds
  申请人：Meyers Marvin J.

  公开号：US20080167294A1

  公开（公告）日：2008-07-10

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: wherein R 1 , R 2 , R 3A , R 3B , R 4 , R 5 , R 6 , R 7 , R 8 , and X are as defined in the detailed description of the invention. Corresponding pharmaceutical compositions, methods of treatment, and intermediates are also disclosed.

  公开了化合物和药物可接受的盐，其中化合物具有公式I的结构:其中R1，R2，R3A，R3B，R4，R5，R6，R7，R8和X如发明的详细说明中所定义的那样。还公开了相应的药物组合物，治疗方法和中间体。
• PYRAZOLINE COMPOUNDS
  申请人：Meyers Marvin J.

  公开号：US20100280016A1

  公开（公告）日：2010-11-04

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: wherein R 1 , R 2 , R 3A , R 3B , R 4 , R 5 , R 6 , R 7 , R 8 , and X are as defined in the detailed description of the invention. Corresponding pharmaceutical compositions, methods of treatment, and intermediates are also disclosed.

  本发明披露了具有I式结构的化合物及其药学上可接受的盐，其中化合物的结构如下：其中R1、R2、R3A、R3B、R4、R5、R6、R7、R8和X的定义详见发明的详细说明。本发明还披露了相应的药物组合物、治疗方法和中间体。
• Pyrazoline compounds
  申请人：Pfizer Inc.

  公开号：US07781428B2

  公开（公告）日：2010-08-24

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: wherein R1, R2, R3A, R3B, R4, R5, R6, R7, R8, and X are as defined in the detailed description of the invention. Corresponding pharmaceutical compositions, methods of treatment, and intermediates are also disclosed.

  本发明揭示了化合物及其药学上可接受的盐，其中化合物具有公式I的结构：其中R1、R2、R3A、R3B、R4、R5、R6、R7、R8和X的定义详见本发明的详细说明。本发明还揭示了相应的药物组合物、治疗方法和中间体。
• WO2008/41037
  申请人：——

  公开号：——

  公开（公告）日：——