salt of 4-[3-(4-benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine-1-oxide | 1240502-26-4

• 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: salt of 4-[3-(4-benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine-1-oxide
• 英文别名: 4-[3-(4-benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine-1-oxide；3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1-oxo-3,5-dihydro-2H-1lambda4,4-benzothiazepin-4-yl)propan-1-one；3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)propan-1-one
• CAS: 1240502-26-4
• 化学式: C₂₅H₃₂N₂O₃S
• 分子量: 440.607
• InChiKey: QBFZESIJRBFQRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  69.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-[3-(4-benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine hydrochloride 在 间氯过氧苯甲酸 、 sodium hydroxide 、 sodium sulfite 作用下， 以 氯仿 、 水 为溶剂， 反应 2.69h， 生成 salt of 4-[3-(4-benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine-1-oxide
  参考文献：
  名称：

  1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION UTILIZING THE SAME

  摘要：

  提供了一种新型化合物，该化合物可用作治疗代理或预防代理，用于治疗心力衰竭、由肺不张引起的心力衰竭、左心室舒张功能障碍、心绞痛或心肌梗死、高血压、缺血性心脏病以及在心力衰竭中识别的心肌松弛障碍、心房颤动或室性心律失常，并且包含该化合物的制药组合物。本发明涉及一种1,4-苯并噻唑-1-氧化物衍生物，其由通式[I]表示（在公式中，R代表氢原子或羟基），或其药学上可接受的盐，以及包含该化合物[I]的制药组合物。

  公开号：

  US20110306594A1

文献信息

• OPTICAL ISOMER OF 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION PREPARED USING SAME
  申请人：Aetas Pharma Co. Ltd.

  公开号：EP3176164A1

  公开（公告）日：2017-06-07

  The present invention provides: a novel compound which is characterized by being capable of increasing the number of heart beats or a blood pressure mildly to improve hemodynamics, and which is useful as a therapeutic or prophylactic agent for atrial fibrillation and heart failure; and a pharmaceutical composition which contains the compound. The present invention relates to: an optical isomer of a 1,4-benzothiazepine-1-oxide derivative represented by general formula [II] (wherein R represents a hydrogen atom or a hydroxy group; and * indicates the presence of an optical isomer) or a pharmaceutically acceptable salt thereof; and a pharmaceutical composition which contains the optical isomer or a pharmaceutically acceptable salt thereof.

  本发明提供了：一种新型化合物，其特征在于能够轻度增加心脏跳动次数或血压以改善血液动力学，可作为心房颤动和心力衰竭的治疗剂或预防剂；以及一种含有该化合物的药物组合物。本发明涉及：通式[II]代表的 1，4-苯并硫氮杂卓-1-氧化物衍生物的光学异构体 (其中 R 代表氢原子或羟基；* 表示存在光学异构体）或其药学上可接受的盐；以及含有该光学异构体或其药学上可接受的盐的药物组合物。
• RENAL DYSFUNCTION IMPROVING DRUG COMPRISING OPTICAL ISOMER OF 1,4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE
  申请人：Aetas Pharma Co. Ltd.

  公开号：EP3725315A1

  公开（公告）日：2020-10-21

  The present invention addresses the problem of providing a pharmaceutical composition for treatment of a variety of conditions accompanied by renal dysfunction. Renal dysfunction is improved by a pharmaceutical composition that comprises an optical isomer of a 1,4-benzothiazepine-1-oxide derivative represented by general formula [II] wherein, R represents a hydrogen atom or a hydroxyl group, and "*" indicates being an optical isomer. or a pharmacologically acceptable salt thereof.

  本发明要解决的问题是提供一种药物组合物，用于治疗伴有肾功能障碍的各种疾病。 由通式[II]代表的 1,4-苯并硫氮杂卓-1-氧化物衍生物的光学异构体组成的药物组合物可改善肾功能障碍。 其中，R 代表氢原子或羟基，"*"表示为光学异构体。 或其药理上可接受的盐。
• METHOD FOR PRODUCING OPTICALLY ACTIVE 1, 4-BENZOTHIAZEPINE-1-OXIDE DERIVATIVE
  申请人：Aetas Pharma Co. Ltd.

  公开号：EP4019089A1

  公开（公告）日：2022-06-29

  The present invention addresses the problem of providing an efficient asymmetric synthesis method for an optically active 1,4-benzothiazepine-1-oxide derivative. [Solution] According to the present invention, an optically active 1,4-benzothiazepine-1-oxide derivative is efficiently produced by reacting a 1,4-benzothiazepine derivative or a salt thereof with a reagent containing a titanium compound, a chiral diol compound and water, and an oxidant in a solvent.

  本发明要解决的问题是提供一种光学活性 1，4-苯并硫氮杂卓-1-氧化物衍生物的高效不对称合成方法。[解]根据本发明，通过将 1,4-苯并硫氮杂卓衍生物或其盐与含有钛化合物、手性二元醇化合物和水的试剂以及氧化剂在溶剂中进行反应，可高效制得光学活性 1,4-苯并硫氮杂卓-1-氧化物衍生物。
• Optical isomer of 1,4-benzothiazepine-1-oxide derivative, and pharmaceutical composition prepared using same
  申请人：AETAS PHARMA CO., LTD.

  公开号：US10071996B2

  公开（公告）日：2018-09-11

  The present invention provides: a novel compound which is characterized by being capable of increasing the number of heart beats or a blood pressure mildly to improve hemodynamics, and which is useful as a therapeutic or prophylactic agent for atrial fibrillation and heart failure; and a pharmaceutical composition which contains the compound. The present invention relates to: an optical isomer of a 1,4-benzothiazepine-1-oxide derivative represented by general formula [II] (wherein R represents a hydrogen atom or a hydroxy group; and * indicates the presence of an optical isomer) or a pharmaceutically acceptable salt thereof; and a pharmaceutical composition which contains the optical isomer or a pharmaceutically acceptable salt thereof.

  本发明提供了：一种新型化合物，其特征在于能够轻度增加心脏跳动次数或血压以改善血液动力学，可作为心房颤动和心力衰竭的治疗剂或预防剂；以及一种含有该化合物的药物组合物。本发明涉及：通式[II]代表的 1，4-苯并硫氮杂卓-1-氧化物衍生物的光学异构体 (其中 R 代表氢原子或羟基；* 表示存在光学异构体）或其药学上可接受的盐；以及含有该光学异构体或其药学上可接受的盐的药物组合物。
• AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20140187536A1

  公开（公告）日：2014-07-03

  Methods for reducing toxicity or side effects caused by administration of a rycal compound for repairing ryanodine receptor channel leaks when treating a disorder in a subject caused by such leaks. These methods are based upon the selection for administration of those rycal compounds having properties including an EC 50 value of 102 nM when assayed for its ability to facilitate the rebinding of FKBP12.6 to PKA-phosphorylated RyR2 or less and less than 50% inhibition of the hERG K + channel (I Kr ) when administered at 10 μM to reduce compound toxicity or side effects after administration compared to other rycal compounds not having those properties.