N-[(R)-1-{(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide hydrochloride | 1383722-23-3

• 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: N-[(R)-1-{(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide hydrochloride
• 英文别名: N-[(R)-1-{(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide monohydrochloride；N-[(2R)-1-[[(2S)-2-hydroxy-2-phenylpropyl]amino]propan-2-yl]isoquinoline-6-sulfonamide;hydrochloride
• CAS: 1383722-23-3
• 化学式: C₂₁H₂₅N₃O₃S*ClH
• 分子量: 435.975
• InChiKey: ZGUYHKLWXDWQGA-KTWHHOSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  99.7
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[(R)-1-{(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide 在 盐酸 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 2.0h， 以25.0 g的产率得到N-[(R)-1-{(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide hydrochloride
  参考文献：
  名称：

  US2022/17469

  摘要：

  公开号：

文献信息

• NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE
  申请人：Hidaka Hiroyoshi

  公开号：US20130274269A1

  公开（公告）日：2013-10-17

  The present invention provides a novel isoquinoline-6-sulfonamide derivative that is useful as a medicine. The present invention provides an isoquinoline-6-sulfonamide derivative represented by Formula (1), a salt thereof, or a solvate of the derivative or the salt, wherein R 1 and R 2 each independently represent a hydrogen atom, or the like; R 3 and R 4 each independently represent a hydrogen atom, an alkyl group, or the like; R 5 represents a hydrogen atom, an optionally substituted alkyl group, an optionally substituted alkenyl group, an optionally substituted alkynyl group, an optionally substituted cycloalkyl group, an optionally substituted alkanoyl group, or the like; and A represents a linear or branched alkylene group having 2 to 6 carbon atoms.

  本发明提供了一种新型的异喹啉-6-磺酰胺衍生物，该衍生物可用作药物。本发明提供了一种由公式（1）表示的异喹啉-6-磺酰胺衍生物，其盐，或衍生物或盐的溶剂化物，其中R1和R2各自独立地代表氢原子或类似物；R3和R4各自独立地代表氢原子、烷基或类似物；R5代表氢原子、可选地取代的烷基、可选地取代的烯基、可选地取代的炔基、可选地取代的环烷基、可选地取代的烷酰基或类似物；A代表具有2至6个碳原子的直链或支链亚烷基。
• NOVEL FORM OF ISOQUINOLINESULFONAMIDE
  申请人：D. Western Therapeutics Institute, Inc.

  公开号：EP3901141A1

  公开（公告）日：2021-10-27

  Provided is a stable crystal of a salt of N-[(R)-1-(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide having desirable properties for a pharmaceutical drug substance, and more specifically N-[(R)-1-(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide dihydrochloride anhydride.

  本发明提供了一种稳定的 N-[(R)-1-(S)-2-羟基-2-苯基丙氨基}丙-2-基]异喹啉-6-磺酰胺盐晶体，该晶体具有理想的药物特性，更具体地说，是 N-[(R)-1-(S)-2-羟基-2-苯基丙氨基}丙-2-基]异喹啉-6-磺酰胺二盐酸盐酸酐。
• Form of isoquinoline sulfonamide
  申请人：D. WESTERN THERAPEUTICS INSTITUTE, INC.

  公开号：US11427546B2

  公开（公告）日：2022-08-30

  A stable crystal of a salt of N—[(R)-1-(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide may have desirable properties for a pharmaceutical drug substance, and more specifically N—[(R)-1-(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide dihydrochloride anhydride. A crystal of the anhydride may have characteristic peaks at 2θ angles of 6.8±0.1°, 10.0±0.1°, 12.7±0.1°, 14.6±0.1°, 14.8±0.1°, 16.2±0.1°, 17.4±0.1°, 17.8±0.1°, 19.5±0.1°, 20.0±0.1°, 21.6±0.1°, 24.7±0.1°, 25.5±0.1°, 25.8±0.1°, 29.8±0.1°, 39.5±0.1°, and/or 44.9±0.1° in powder X-ray diffraction spectrum.

  N-[(R)-1-(S)-2-羟基-2-苯基丙氨基}丙-2-基]异喹啉-6-磺酰胺盐的稳定晶体可能具有理想的药物特性，更具体地说，N-[(R)-1-(S)-2-羟基-2-苯基丙氨基}丙-2-基]异喹啉-6-磺酰胺二盐酸盐酸酐可能具有理想的药物特性。该酸酐的晶体可在 2θ 角处出现特征峰，分别为 6.8±0.1°、10.0±0.1°、12.7±0.1°、14.6±0.1°、14.8±0.1°、16.2±0.1°、17.4±0.1°、17.8±0.1°, 19.5±0.1°, 20.0±0.1°, 21.6±0.1°, 24.7±0.1°, 25.5±0.1°, 25.8±0.1°, 29.8±0.1°, 39.5±0.1°, 和/或 44.9±0.1°。
• NEW FORM OF ISOQUINOLINE SULFONAMIDE
  申请人：D. WESTERN THERAPEUTICS INSTITUTE, INC.

  公开号：US20220017469A1

  公开（公告）日：2022-01-20

  A stable crystal of a salt of N—[(R)-1-(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide may have desirable properties for a pharmaceutical drug substance, and more specifically N—[(R)-1-(S)-2-hydroxy-2-phenylpropylamino}propan-2-yl]isoquinoline-6-sulfonamide dihydrochloride anhydride. A crystal of the anhydride may have characteristic peaks at 2θ angles of 6.8±0.1°, 10.0±0.10, 12.7±0.10, 14.6±0.1°, 14.8±0.1°, 16.2±0.1°, 17.4±0.1°, 17.8±0.1°, 19.5±0.1°, 20.0±0.1°, 21.6±0.1°, 24.7±0.10, 25.5±0.1°, 25.8±0.1°, 29.8-0.1°, 39.5-0.1°, and/or 44.9±0.1° in powder X-ray diffraction spectrum.
• US8883792B2
  申请人：——

  公开号：US8883792B2

  公开（公告）日：2014-11-11