1-(4-哌啶基)-1,3-丙二醇 | 848070-11-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(4-哌啶基)-1,3-丙二醇
• 英文名称: 1-piperidin-4-yl-propane-1,3-diol
• 英文别名: 1-(Piperidin-4-yl)propane-1,3-diol；1-piperidin-4-ylpropane-1,3-diol
• CAS: 848070-11-1
• 化学式: C₈H₁₇NO₂
• 分子量: 159.228
• InChiKey: LJXUTTGVMYZMGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 2.0h， 以99%的产率得到1-(4-哌啶基)-1,3-丙二醇
  参考文献：
  名称：

  [EN] QUINOLONE ANTIBACTERIAL AGENTS
  [FR] AGENTS ANTIBACTERIENS A BASE DE QUINOLONE

  摘要：

  公开号：

  WO2005026145A3

文献信息

• [EN] PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS<br/>[FR] DÉRIVÉS DE PIPÉRAZINE ET LEUR UTILISATION COMME MODULATEURS DE KIT
  申请人：BLUEPRINT MEDICINES CORP

  公开号：WO2014160521A1

  公开（公告）日：2014-10-02

  Compounds having structural formula (I) : or a pharmaceutically acceptable salt or a tautomer thereof or having structural formula (III) : or a pharmaceutically acceptable salt or tautomer thereof useful for treating disorders related to Kit are described herein.

  具有结构式（I）的化合物：或其药学上可接受的盐或互变异构体，或具有结构式（III）的化合物：或其药学上可接受的盐或互变异构体，用于治疗与Kit相关的疾病。
• [EN] NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF<br/>[FR] NOUVEAUX ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLES À DOUBLE MODE D'ACTION, INHIBITEURS DE PHOSPHODIESTÉRASE ET LEURS UTILISATIONS
  申请人：TOPADUR PHARMA AG

  公开号：WO2020109354A1

  公开（公告）日：2020-06-04

  The present invention relates to compounds of formula (I) or formula (II) or pharmaceutically acceptable salt, solvate or hydrate thereof, wherein said compound of formula (I) and said compound of formula II each comprises at least one ONO2 or ONO moiety; R1 is C1-C3alkyl; R2 is H, C1-C6alkyl, C3-C6cycloalkyl, C1-C2alkoxy, C2-C4alkenyl; R3 is C1-C4alkyl optionally substituted with C1-C2alkoxy, C3-C4cycloalkyl, C2-C4alkenyl; R4 and R5 are each independently H or C1-C6alkyl optionally substituted with F, OH, ONO, ONO2, COOH, C1-C3alkoxy, C3-C6cycloalkyl; or together with the nitrogen atom to which they are attached form a heterocyclic ring, wherein preferably said heterocyclic ring is selected from aziridine, azetidine, pyrollidine, piperidine, morpholine, piperazine, homo-piperazine, 2,5-diazabicyclo[2,2,1]heptane and 3,7-diazabicyclo[3,3,0]octane, wherein said heterocyclic ring is optionally substituted with independently one or more R6; R6 is C1-C6alkyl optionally substituted with independently one or more halogen, OH, ONO, ONO2, C1-C3alkoxy, C1-C3haloalkoxy, COOR7, NR8R9, C=NR10; R7 is H, or C1-C4alkyl optionally substituted with F, OH, ONO, ONO2, NR8R9; R8 and R9 are independently H, or C1-C4alkyl optionally substituted with ONO, ONO2; R10 is C1-C4alkyl optionally substituted with F, ONO, ONO2; C3-C6cycloalkyl; pharmaceutical compositions thereof, and their use in methods of treating or preventing a disease alleviated by inhibition of PDE5 in a human or in a non-human mammal.

  本发明涉及以下化合物的公式(I)或公式(II)或其药学上可接受的盐、溶剂或水合物，其中公式(I)的化合物和公式(II)的化合物各自至少包含一个ONO2或ONO基团；R1为C1-C3烷基；R2为H、C1-C6烷基、C3-C6环烷基、C1-C2烷氧基、C2-C4烯基；R3为C1-C4烷基，可选择地取代为C1-C2烷氧基、C3-C4环烷基、C2-C4烯基；R4和R5各自独立地为H或C1-C6烷基，可选择地取代为F、OH、ONO、ONO2、COOH、C1-C3烷氧基、C3-C6环烷基；或与它们连接的氮原子一起形成杂环，其中优选的杂环选自氮杂环丙烷、氮杂环丙酮、吡咯烷、哌啶、吗啉、哌嗪、同哌嗪、2,5-二氮杂双环[2,2,1]庚烷和3,7-二氮杂双环[3,3,0]辛烷，其中该杂环可选择地独立地取代为一个或多个R6；R6为C1-C6烷基，可选择地独立地取代为一个或多个卤素、OH、ONO、ONO2、C1-C3烷氧基、C1-C3卤代烷氧基、COOR7、NR8R9、C=NR10；R7为H，或可选择地取代为F、OH、ONO、ONO2、NR8R9的C1-C4烷基；R8和R9独立地为H，或可选择地取代为ONO、ONO2的C1-C4烷基；R10为C1-C4烷基，可选择地取代为F、ONO、ONO2的C3-C6环烷基；其药物组合物以及它们在治疗或预防人类或非人哺乳动物中通过抑制PDE5缓解的疾病的方法中的使用。
• [EN] ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS<br/>[FR] COMPOSES ET COMPOSITIONS ANTI-CORONAVIRUS, UTILISATIONS PHARMACEUTIQUES ASSOCIEES ET MATERIAUX POUR LA SYNTHESE DE CES COMPOSES ET COMPOSITIONS
  申请人：PFIZER

  公开号：WO2005113580A1

  公开（公告）日：2005-12-01

  The invention relates to methods of inhibiting SARS-related coronavirus viral replication activity comprising contacting a SARS-related coronavirus protease with a therapeutically effective amount of a SARS 3C like protease inhibitor of formula (I), and compositions comprising the same.

  本发明涉及一种抑制SARS相关冠状病毒病毒复制活性的方法，包括将SARS相关冠状病毒蛋白酶与公式（I）的治疗有效量的SARS 3C类蛋白酶抑制剂接触，并且包括相应的组合物。
• Antibacterial agents
  申请人：Ellsworth Lee Edmund

  公开号：US20050096278A1

  公开（公告）日：2005-05-05

  Compounds of formula I, II, III, IV, IV, and VI and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula I as well as pharmaceutically acceptable compositions comprising compounds of formula I. Compounds of formula I as disclosed herein can be used in a variety of applications including use as antibacterial agents.

  本文披露了I、II、III、IV、V和VI式化合物的制备方法。还披露了制备公式I的生物活性化合物的方法，以及包括公式I化合物的药学上可接受的组合物的方法。本文所披露的公式I化合物可用于各种应用，包括用作抗菌剂。
• PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS
  申请人：Blueprint Medicines Corporation

  公开号：EP2970231A1

  公开（公告）日：2016-01-20