(S)-4-fluoro-N-[1-(3-hydroxypropylamino)propan-2-yl]isoquinoline-5-sulfonamide | 223644-14-2

• 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: (S)-4-fluoro-N-[1-(3-hydroxypropylamino)propan-2-yl]isoquinoline-5-sulfonamide
• 英文别名: (S)-4-Fluoro-N-(1-((3-hydroxypropyl)amino)propan-2-yl)isoquinoline-5-sulfonamide；4-fluoro-N-[(2S)-1-(3-hydroxypropylamino)propan-2-yl]isoquinoline-5-sulfonamide
• CAS: 223644-14-2
• 化学式: C₁₅H₂₀FN₃O₃S
• 分子量: 341.407
• InChiKey: HYOFAZNITIMWJS-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.7
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (S)-4-fluoro-N-[1-(3-hydroxypropylamino)propan-2-yl]isoquinoline-5-sulfonamide 生成 瑞舒地尔
  参考文献：
  名称：

  WO2006/57397

  摘要：

  公开号：
• 作为产物：
  描述：

  (S)-(-)-4-fluoro-N-(1-hydroxypropan-2-yl)isoquinoline-5-sulfonamide 、 3-氨基-1-丙醇 在 甲基磺酰氯 作用下， 生成 (S)-4-fluoro-N-[1-(3-hydroxypropylamino)propan-2-yl]isoquinoline-5-sulfonamide
  参考文献：
  名称：

  WO2006/57397

  摘要：

  公开号：

文献信息

• NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF
  申请人：Gomi Noriaki

  公开号：US20130144054A1

  公开（公告）日：2013-06-06

  The present invention provides a method capable of industrially producing a target product, i.e., a compound represented by the aforementioned formula (I) or a salt thereof, which is useful for preventing and treating cerebrovascular disorders such as cerebral infarction, cerebral hemorrhage, subarachnoid hemorrhage, and cerebral edema, particularly for preventing and treating glaucoma, at high yield even on a large scale without imposing a negative impact on the environment. The present invention provides a method for producing a compound represented by formula (I) or a salt thereof, wherein the method comprises a step of reacting a compound represented by formula (III) or a salt thereof with a compound represented by formula (II) in the presence of at least one solvent selected from the group consisting of a nitrile solvent, an amide solvent, a sulfoxide solvent, and a urea solvent, and a base.

  本发明提供了一种能够在工业上生产目标产品的方法，即一种由上述公式（I）表示的化合物或其盐，该化合物对预防和治疗脑血管疾病（如脑梗死、脑出血、蛛网膜下腔出血和脑水肿）特别是对预防和治疗青光眼具有用处，即使在大规模生产时也能高产率地生产，而且不对环境造成负面影响。本发明提供了一种生产由公式（I）表示的化合物或其盐的方法，其中该方法包括以下步骤：在至少选择自腈溶剂、酰胺溶剂、亚砜溶剂和脲溶剂组成的群中选择至少一种溶剂和一种碱的条件下，将由公式（III）表示的化合物或其盐与由公式（II）表示的化合物反应。
• (S)-(-)-1-(4-FLUOROISOQUINOLIN-5-YL)SULFONYL-2METHYL-1,4HOMOPIPERAZINE HYDROCHLORIDE DIHYDRATE
  申请人：Kowa Company, Ltd.

  公开号：EP1818329A1

  公开（公告）日：2007-08-15

  The present invention is directed to (S)-(-)-1-(4-fluoroisoquinolin-5-yl)sulfonyl-2-methyl-1,4-homopiperazine hydrochloride dihydrate, to a method producing the dihydrate, and to a drug composition containing the dihydrate. The compound of the present invention has less hygroscopicity as compared with (S)-(-)-1-(4-fluoroisoquinolin-5-yl)sulfonyl-2-methyl-1,4-homopiperazine hydrochloride anhydrous crystals and thus, exhibits excellent chemical stability.

  本发明涉及(S)-(-)-1-(4-氟异喹啉-5-基)磺酰基-2-甲基-1,4-高哌嗪盐酸盐二水合物、生产该二水合物的方法以及含有该二水合物的药物组合物。与(S)-(-)-1-(4-氟异喹啉-5-基)磺酰基-2-甲基-1,4-高哌嗪盐酸盐无水结晶相比，本发明化合物的吸湿性较小，因此具有极佳的化学稳定性。
• (S)-(-)-1-(4-Fluoroisoquinolin-5-Yl)Sulfonyl-2-Methyl-1,4-Homopiperazine Hydrochloride Dihydrate
  申请人：Ohshima Takeshi

  公开号：US20080021018A1

  公开（公告）日：2008-01-24

  The present invention is directed to (S)-(−)-1-(4-fluoroisoquinolin-5-yl)sulfonyl-2-methyl-1,4-homopiperazine hydrochloride dihydrate, to a method producing the dihydrate, and to a drug composition containing the dihydrate. The compound of the present invention has less hygroscopicity as compared with (S)-(−)-1-(4-fluoroisoquinolin-5-yl)sulfonyl-2-methyl-1,4-homopiperazine hydrochloride anhydrous crystals and thus, exhibits excellent chemical stability.
• US7858615B2
  申请人：——

  公开号：US7858615B2

  公开（公告）日：2010-12-28
• US9045460B2
  申请人：——

  公开号：US9045460B2

  公开（公告）日：2015-06-02