acetic acid;2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide

• 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: acetic acid;2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
• 化学式: C19H30N2O5
• 分子量: 366.5
• InChiKey: XTRODIACHQFTSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  99.1
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Hydroxylated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014733A1

  公开（公告）日：2007-01-18

  Hydroxylated nebivolol metabolites increase NO release from human endothelial cell preparations in a concentration dependent fashion following acute administration. In addition, hydroxylated nebivolol metabolites, including but not limited to 4-hydroxy-6,6′difluoro-, 4-hydroxy-5-phenol-6,6′difluoro-, and 4-hydroxy-8-pheno-6,6′difluoro-, have the ability to increase the capacity for NO release in human endothelial cells following chronic administration. This invention provides hydroxylated nebivolol metabolites and compositions comprising nebivolol and/or at least one hydroxylated metabolite of nebivolol and/or at least one additional compound used to treat cardiovascular diseases or a pharmaceutically acceptable salt thereof. In addition, this invention provides methods of treating and/or preventing vascular diseases by administering at least one hydroxylated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one hydroxylated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  羟基化奈必洛尔代谢物在急性给药后以浓度依赖性方式增加人内皮细胞制剂的一氧化氮释放。此外，羟基化奈必洛尔代谢物，包括但不限于4-羟基-6,6'-二氟代-、4-羟基-5-苯酚-6,6'-二氟代-和4-羟基-8-苯并-6,6'-二氟代-，在慢性给药后能够增加人内皮细胞的一氧化氮释放能力。本发明提供了羟基化奈必洛尔代谢物和包含奈必洛尔和/或至少一种羟基化奈必洛尔代谢物和/或至少一种用于治疗心血管疾病的附加化合物的组合物，以及可药用的盐。此外，本发明还提供了通过给药至少一种能够释放治疗有效量的一氧化氮到受血管疾病影响的靶向部位的羟基化奈必洛尔代谢物来治疗和/或预防血管疾病的方法。本发明还涉及通过给药至少一种羟基化奈必洛尔代谢物来治疗和/或预防偏头痛。本发明还可以与治疗代谢综合征障碍的其他治疗联合使用，或作为单一治疗。
• [EN] CRYSTALLIZATION METHOD AND BIOAVAILABILITY<br/>[FR] PROCÉDÉ DE CRISTALLISATION ET BIODISPONIBILITÉ
  申请人：THAR PHARMACEUTICALS INC

  公开号：WO2017049294A1

  公开（公告）日：2017-03-23

  Preparation and in vitro and in vivo characterization of novel forms of active pharmaceutical ingredients, suitable for pharmaceutical compositions in drug delivery systems for humans.

  准备并进行体外和体内特性评价，研究新型活性药物成分的形式，适用于人体药物输送系统中的药物组合。
• [EN] CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF<br/>[FR] HYDROGENATION CATALYTIQUE DE NITRILES POUR PRODUIRE DES DERIVES CAPSAICINOIDES ET DES COMPOSES D'AMINES, ET PROCEDES DE PURIFICATION ET D'OBTENTION DE LEURS POLYMORPHES
  申请人：STIEFEL LABORATORIES

  公开号：WO2005068414A1

  公开（公告）日：2005-07-28

  Processes for preparing an amine compound by catalytically hydrogenating a precursor nitrile compound. In a particular aspect, the present hydrogenation process occurs in a dipolar organic solvent in the presence of a palladium/carbon catalyst and a strong anhydrous protic acid. In a further aspect, the preferred embodiment relates to a process for deprotecting a compound to produce an amine compound. In yet a further aspect, the preferred embodiment relates to amine products produced by the present processes. These amine products may be used for a variety of purposes.

  通过在存在钯/碳催化剂和强无水质子酸的情况下，在偶极有机溶剂中催化氢化前体腈化合物的过程。在一个特定方面，目前的氢化过程发生在一个偶极有机溶剂中，在钯/碳催化剂和强无水质子酸的存在下。在另一个方面，首选实施例涉及一种去保护化合物以产生胺化合物的过程。在另一个方面，首选实施例涉及通过目前的过程产生的胺产品。这些胺产品可以用于各种目的。
• Glucuronidated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014734A1

  公开（公告）日：2007-01-18

  This invention provides glucuronidated nebivolol metabolites and pharmaceutical compositions of glucuronidated nebivolol metabolites for treatment of cardiovascular diseases. In addition, this invention also provides compositions comprising nebivolol and/or at least one glucuronidated metabolite of nebivolol and/or at least one other active compound in a pharmaceutically acceptable carrier. This invention also provides methods of treating and/or preventing vascular diseases, by administering at least one glucuronidated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one glucuronidated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  这项发明提供了葡萄糖醛酸化的尼布ivolol代谢物以及用于治疗心血管疾病的葡萄糖醛酸化的尼布ivolol代谢物的制药组合物。此外，该发明还提供了包含尼布ivolol和/或至少一种尼布ivolol的葡萄糖醛酸化代谢物和/或至少一种其他活性化合物的药用可接受载体的组合物。该发明还提供了通过向受影响血管疾病的靶位点投与至少一种能释放治疗有效量一氧化氮的尼布ivolol的葡萄糖醛酸化代谢物来治疗和/或预防血管疾病的方法。此外，该发明旨在通过投与至少一种尼布ivolol的葡萄糖醛酸化代谢物来治疗和/或预防偏头痛。该发明还可与代谢综合征紊乱的单一治疗或联合治疗一起使用。
• Methods for protection of stratified squamous epithelium against injury by noxious substances and novel agents for use therefor
  申请人：——

  公开号：US20020052408A1

  公开（公告）日：2002-05-02

  Novel sulfate ester agents and the use of those agents for treating gastroesophageal reflux disease (GERD) are described, exemplary agents being of the formula: 1 wherein X is —OCH 2 — or —CH 2 O—; Y is a group pendant from X comprising at least one —OSO 3 R 4 moiety, wherein R 4 is H or a pharmaceutically acceptable cation; n is an integer from 1-3; and R 1 and R 2 are each independently selected from the group consisting of —H, a halogen with an atomic number from 9 to 53, —SO 3 R 4 , —NCS, —NCO, —NH(CO)—OR 3 , —NH(CS)SR 3 , —NH(C═NH)OR 3 , —NHCOCH 2 Cl, —NHCOCH 2 Br, —NHCO—CH═CH 2 , —NHC(O)—CF 3 , wherein R 4 is H or a pharmaceutically acceptable cation.

  描述了新型硫酸酯类药剂以及利用这些药剂治疗胃食管反流病（GERD）的方法，示例药剂的结构如下：其中X为—O —或—CH2O—；Y是从X中悬挂的一个含有至少一个—OSO3R4基团的基团，其中R4为H或药用可接受的阳离子；n为1-3的整数；R1和R2各自独立地选择自—H、原子序数为9至53的卤素、—SO3R4、—NCS、—NCO、—NH(CO)—OR3、—NH(CS)SR3、—NH(C═NH)OR3、—NHCO Cl、—NHCO Br、—NHCO—CH═CH2、—NHC(O)—CF3的基团，其中R4为H或药用可接受的阳离子。