(S)-1-(4-(dimethylamino)piperidin-1-yl)-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)propan-1-one | 1993439-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (S)-1-(4-(dimethylamino)piperidin-1-yl)-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)propan-1-one
• 英文别名: (3S)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one
• CAS: 1993439-84-1
• 化学式: C₁₄H₂₄N₄O₂
• 分子量: 280.37
• InChiKey: QUTKDCYSTKFFEU-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-1-(4-(dimethylamino)piperidin-1-yl)-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)propan-1-one 在 palladium 10% on activated carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 21.17h， 生成 (S)-2-(3-(4-(dimethylamino)piperidin-1-yl)-1-(1-methyl-1H-imidazol-2-yl)-3-oxopropoxy)acetic acid
  参考文献：
  名称：

  CYCLIC AMINE DERIVATIVE AS AGENT FOR PROMOTING ADVILLIN FUNCTION, AND NOVEL CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF

  摘要：

  本发明的目的是提供一种促进advillin功能的制剂，包括低分子量化合物，并可用于治疗轴突损伤。本发明提供了一种促进advillin功能的制剂，包括一种通常由以下化学式表示的环状胺衍生物或其药学上可接受的盐作为活性成分。

  公开号：

  US20220081431A1
• 作为产物：
  描述：

  1-(4-(dimethylamino)piperidin-1-yl)-3-(1-methyl-1H-imidazol-2-yl)propan-1,3-dione 在 N-[(1S,2S)-1,2-diphenyl-2-(2-(4-methylbenzyloxy)ethylamino)ethyl]-4-methylbenzenesulfonamide(chloro)ruthenium(II) 、 异丙醇 作用下， 反应 18.0h， 以81%的产率得到(S)-1-(4-(dimethylamino)piperidin-1-yl)-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)propan-1-one
  参考文献：
  名称：

  CRYSTALS OF CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF

  摘要：

  该化合物的晶体对神经病性疼痛和/或纤维肌痛综合征具有镇痛作用，可用作药物。这些晶体可以是(S)-1-(4-(二甲氨基)哌啶-1-基)-3-羟基-3-(1-甲基-1H-咪唑-2-基)丙酮或其药理学上可接受的盐。

  公开号：

  US20200172507A1

文献信息

• Cyclic amine derivative and pharmaceutical use thereof
  申请人：Toray Industries, Inc.

  公开号：US10173999B2

  公开（公告）日：2019-01-08

  A compound exerts an analgesic effect against pain, in particular, neuropathic pain and/or fibromyalgia syndrome. A cyclic amine derivative represented by the following general formula, or a pharmacologically acceptable salt thereof: Methods using the compound including the cyclic amine derivative or a pharmacologically acceptable salt thereof to treat pain, neuropathic pain and fibromyalgia syndrome.

  一种化合物对疼痛，尤其是神经性疼痛和/或纤维肌痛综合征具有镇痛效果。由以下通式代表的环胺衍生物，或其药理学上可接受的盐： 使用包括环胺衍生物或其药理学上可接受的盐的化合物治疗疼痛、神经性疼痛和纤维肌痛综合征的方法。
• Crystals of cyclic amine derivative and pharmaceutical use thereof
  申请人：Toray Industries, Inc.

  公开号：US10961217B2

  公开（公告）日：2021-03-30

  Crystals of a compound that exhibits an analgesic action against neuropathic pain and/or fibromyalgia syndrome are useful as pharmaceuticals. The crystals may be of (S)-1-(4-(dimethylamino)piperidin-1-yl)-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)propan-1-one or a pharmacologically acceptable salt thereof.

  对神经性疼痛和/或纤维肌痛综合征有镇痛作用的化合物晶体可用作药物。晶体可以是(S)-1-(4-(二甲基氨基)哌啶-1-基)-3-羟基-3-(1-甲基-1H-咪唑-2-基)丙-1-酮或其药理上可接受的盐。
• CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Toray Industries, Inc.

  公开号：EP3263565B1

  公开（公告）日：2019-06-26
• THERAPEUTIC OR PROPHYLACTIC AGENT FOR PERIPHERAL NEUROPATHIES
  申请人：Toray Industries, Inc.

  公开号：US20200030293A1

  公开（公告）日：2020-01-30

  A method of treating or preventing peripheral neuropathies includes administering a therapeutically effective amount of a cyclic amine derivative represented by general formula (I) or a pharmacologically acceptable salt thereof to a patient who needs treatment wherein, carbon marked with * is asymmetric carbon; and A represents a group represented by general formulae (IIa), (IIb) or (IIc): wherein R 1 represents a methyl group or an ethyl group optionally substituted with a halogen atom, R 2 represents a hydrogen atom or an alkylcarbonyl group having 2 to 5 carbon atoms, each R 3 independently represents a methyl group or an ethyl group, and n represents 1 or 2.
• AGENT FOR INHIBITING RISE IN INTRANEURONAL CALCIUM CONCENTRATION
  申请人：Toray Industries, Inc.

  公开号：US20210023068A1

  公开（公告）日：2021-01-28

  A method of inhibiting a rise in intraneuronal calcium concentration includes administering an effective amount of a cyclic amine derivative represented by formula (I) or a pharmacologically acceptable salt thereof to a subject in need thereof: wherein A represents formula (IIa), (IIb) or (IIc):