(R)-3-[2-(2-hydroxymethylpyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one | 680223-64-7

• 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: (R)-3-[2-(2-hydroxymethylpyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one
• 英文别名: (R)-3-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)-5-methylisoquinolin-1(2H)-one；3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
• CAS: 680223-64-7
• 化学式: C₁₇H₂₂N₂O₂
• 分子量: 286.374
• InChiKey: JIODGUURCXVIDC-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-3-[2-(2-hydroxymethylpyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one 在 磷酸 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (R)-3-[2-(2-hydroxymethylpyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one monophosphate
  参考文献：
  名称：

  NOVEL SALT OF ISOQUINOLINE COMPOUND AND CRYSTAL THEREOF

  摘要：

  公开号：

  EP2184282B1
• 作为产物：
  描述：

  (R)-3-[2-(2-hydroxymethylpyrrolidin-1-yl)ethyl]-5-methylisocoumarin hydrochloride 在 ammonium carbonate 、 sodium hydroxide 、 溶剂黄146 作用下， 以 乙醚 、 乙酸乙酯 为溶剂， 生成 (R)-3-[2-(2-hydroxymethylpyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one
  参考文献：
  名称：

  Isoquinoline compound and pharmaceutical use thereof

  摘要：

  本发明涉及一种异喹啉化合物，其由以下通式(I)表示，包括其光学活性形式、药学上可接受的盐、水合物、水合物和溶剂合物，以及用于预防和/或治疗由聚(ADP-核糖)聚合酶过度反应性引起的疾病的药物组合物，包含该化合物，以及包含该化合物的聚(ADP-核糖)聚合酶抑制剂。此外，该化合物可作为预防和/或治疗脑梗塞，特别是急性脑梗塞的药物。此外，该化合物可作为改善与脑梗塞，特别是急性脑梗塞相关的神经症状的预防和/或治疗药物。其中，符号的定义与说明书中的定义相同。

  公开号：

  US20040248931A1

文献信息

• ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF
  申请人：Fujio Masakazu

  公开号：US20070161620A1

  公开（公告）日：2007-07-12

  The present invention relates to an isoquinoline compound represented by the following formula (I), an optically active form thereof, a pharmaceutically acceptable salt thereof, a water adduct thereof, a hydrate thereof and a solvate thereof, as well as an agent for the prophylaxis and/or treatment of a disease caused by hyperreactivity of poly(ADP-ribose)polymerase, containing the compound, and a poly(ADP-ribose)polymerase inhibitor containing the compound. In addition, this compound is useful as an agent for the prophylaxis and/or treatment of cerebral infarction, particularly as an agent for the prophylaxis and/or treatment of acute cerebral infarction. Furthermore, this compound is useful as a prophylactic and/or therapeutic agent that improves neurological symptoms associated with cerebral infarction, particularly acute cerebral infarction. wherein the symbols are the same as defined in the description.

  本发明涉及以下式(I)所表示的异喹啉化合物，其手性活性形式，其药学上可接受的盐，其水加合物，其水合物和其溶剂化物，以及包含该化合物的用于预防和/或治疗由多聚(ADP-核糖)聚合酶过度反应所致疾病的药剂和包含该化合物的多聚(ADP-核糖)聚合酶抑制剂。此外，该化合物可用作预防和/或治疗脑梗死的药剂，特别是作为预防和/或治疗急性脑梗死的药剂。此外，该化合物可用作改善与脑梗死相关的神经症状的预防性和/或治疗性药剂，特别是急性脑梗死。其中符号与描述中定义的相同。
• Salt of isoquinoline compound and crystal thereof
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US08309573B2

  公开（公告）日：2012-11-13

  The invention provides a salt of (R)-3-[2-(2-hydroxymethylpyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one and a crystal thereof. (R)-3-[2-(2-Hydroxymethylpyrrolidin-1-ypethyl]-5-methyl-2H-1-isoquinolin-1-one monophosphate is a compound which is chemically stable, has high solubility, and shows less weight change due to humidity as compared to a free form and monohydrochloride dihydrate, and is superior as a bulk drug for pharmaceutical products.

  本发明提供了(R)-3-[2-(2-羟甲基吡咯烷-1-基)乙基]-5-甲基-2H-异喹啉-1-酮的盐及其晶体。单磷酸盐(R)-3-[2-(2-羟甲基吡咯烷-1-基)乙基]-5-甲基-2H-1-异喹啉酮是一种化学稳定、溶解度高、相对于自由形式和单盐酸二水合物具有更少的湿度引起的重量变化，并且作为制药产品的大宗药物具有优越性。
• THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS
  申请人：BROWN Dennis M.

  公开号：US20160045502A1

  公开（公告）日：2016-02-18

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to mustard-based alkylating agents such as uracil mustard and analogs, derivatives, or prodrugs thereof, including 6-methyluracil mustard and 6-ethyluracil mustard.

  本发明描述了一种改善先前受到治疗性能不佳限制的治疗剂的治疗效果的方法和组合物，通过改善单药疗法的功效或减少副作用。这种方法和组合物特别适用于芥子碱基烷基化剂，例如尿嘧啶芥和其类似物、衍生物或前药，包括6-甲基尿嘧啶芥和6-乙基尿嘧啶芥。
• ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1557414A1

  公开（公告）日：2005-07-27

  The present invention relates to an isoquinoline compound represented by the following formula (1), an optically active form thereof, a pharmaceutically acceptable salt thereof, a water adduct thereof, a hydrate thereof and a solvate thereof, as well as an agent for the prophylaxis and/or treatment of a disease caused by hyperreactivity of poly(ADP-ribose)polymerase, containing the compound, and a poly(ADP-ribose)polymerase inhibitor containing the compound. In addition, this compound is useful as an agent for the prophylaxis and/or treatment of cerebral infarction, particularly as an agent for the prophylaxis and/or treatment of acute cerebral infarction. Furthermore, this compound is useful as a prophylactic and/or therapeutic agent that improves neurological symptoms associated with cerebral infarction, particularly acute cerebral infarction.

  本发明涉及下式(1)代表的异喹啉化合物、其光学活性形式、其药学上可接受的盐、其水加合物、其水合物和其溶解物，以及含有该化合物的预防和/或治疗由聚(ADP-核糖)聚合酶高反应性引起的疾病的制剂和含有该化合物的聚(ADP-核糖)聚合酶抑制剂。此外，该化合物还可作为预防和/或治疗脑梗塞的药物，特别是作为预防和/或治疗急性脑梗塞的药物。此外，该化合物还可作为预防和/或治疗剂，改善与脑梗塞，尤其是急性脑梗塞相关的神经症状。
• Use of substituted hexitols including dianhydrogalactitol and analogs to treat neoplastic disease and cancer stem and cancer stem cells including glioblastoma multiforme and medulloblastoma
  申请人：Del Mar Pharmaceuticals (BC) Ltd.

  公开号：US10201521B2

  公开（公告）日：2019-02-12

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of glioblastoma multiforme and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N7 methylation. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide; the drug acts independently of the MGMT repair mechanism.

  二氢半乳糖醇的使用为治疗多形性胶质母细胞瘤和髓母细胞瘤提供了一种新的治疗方法。二氢半乳糖醇是一种 DNA 烷基化剂，可产生 N7 甲基化。Dianhydrogalactitol 能有效抑制癌症干细胞的生长，并对替莫唑胺难治性肿瘤有效；该药物的作用不受 MGMT 修复机制的影响。