4-(哌啶-4-羰基)-哌嗪-1-羧酸叔丁酯 | 203520-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-(哌啶-4-羰基)-哌嗪-1-羧酸叔丁酯
• 英文名称: 4-(N-Boc-piperazin-4-ylcarbonyl)piperidine
• 英文别名: tert-butyl 4-(piperidin-4-carbonyl)piperazin-1-carboxylate；tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate；1-(tert-butoxycarbonyl)-4-(piperidin-4-ylcarbonyl)-piperazine
• CAS: 203520-03-0
• 化学式: C₁₅H₂₇N₃O₃
• mdl: MFCD06808758
• 分子量: 297.398
• InChiKey: HUBWQZRKRPUKNT-UHFFFAOYSA-N

物化性质

• 沸点：
  447.2±45.0 °C(Predicted)
• 密度：
  1.119±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.866
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-(哌啶-4-羰基)-哌嗪-1-羧酸叔丁酯 在 palladium on activated charcoal 氢气 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 Piperazin-1-yl-(1-pyridazin-4-ylpiperidin-4-yl)methanone
  参考文献：
  名称：

  A Novel Series of 4-Piperidinopyridine and 4-Piperidinopyrimidine Inhibitors of 2,3-Oxidosqualene Cyclase−Lanosterol Synthase

  摘要：

  A novel series of 4-piperidinopyridines and 4-piperidinopyrimidines showed potent and selective inhibition of rat 2,3-oxidosqualene cyclase-lanosterol synthase (OSC) (e.g. 26 IC50 rat = 398 +/- 25 nM, human = 112 +/- 25 nM) and gave selective oral inhibition of rat cholesterol biosynthesis (26 ED80 = 1.2 +/- 0.3 mg/kg, n = 5; HMGCoA reductase inhibitor simvastatin, ED80 = 1.2 +/- 0.3 mg/kg, n = 5). The piperidinopyrimidine OSC inhibitors have a significantly lower pK(a) than the corresponding pyridine or the previously reported quinuclidine OSC inhibitor series. This indicates that other novel OSC inhibitors may be found in analogues of this series across a broader pK(a) range (6.0-9.0). These series may yield novel hypocholesterolemic agents for the treatment of cardiovascular disease.

  DOI：

  10.1021/jm000139k
• 作为产物：
  描述：

  tert-butyl 4-(1-(benzyloxycarbonyl)piperidin-4-carbonyl)piperazin-1-carboxylate 在 钯 作用下， 以 乙醇 为溶剂， 生成 4-(哌啶-4-羰基)-哌嗪-1-羧酸叔丁酯
  参考文献：
  名称：

  Substituted pyrimidine derivatives and their pharmaceutical use

  摘要：

  这项发明涉及对氧化齿萜环化酶具有抑制作用的杂环衍生物，以及其制备方法和含有它们的药物组合物。本发明还涉及对能够抑制胆固醇生物合成并因此降低血浆胆固醇水平的杂环衍生物。本发明还涉及在高胆固醇血症和动脉粥样硬化等疾病和医疗状况中使用这种杂环衍生物的方法。

  公开号：

  US06093718A1

文献信息

• Substituted pyrimidine derivatives and their pharmaceutical use
  申请人：Zeneca Limited

  公开号：US06093718A1

  公开（公告）日：2000-07-25

  This invention concerns heterocyclic derivatives which are useful in inhibiting oxido-squalene cyclase, processes for their preparation and pharmaceutical compositions containing them. The present invention is also concerned with heterocyclic derivatives capable of inhibiting cholesterol biosynthesis and hence in lowering cholesterol levels in blood plasma. The present invention also relates to methods of using such heterocyclic derivatives in diseases and medical conditions such as hypercholesterolemia and atherosclerosis.

  这项发明涉及对氧化齿萜环化酶具有抑制作用的杂环衍生物，以及其制备方法和含有它们的药物组合物。本发明还涉及对能够抑制胆固醇生物合成并因此降低血浆胆固醇水平的杂环衍生物。本发明还涉及在高胆固醇血症和动脉粥样硬化等疾病和医疗状况中使用这种杂环衍生物的方法。
• [EN] NOVEL HETEROCYCLIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021148420A1

  公开（公告）日：2021-07-29

  The invention provides novel heterocyclic compounds having thegeneral formula (I), and pharmaceutically acceptable salts thereof, wherein R1 to R4, m, n, and p are as described herein. Formula (I). Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

  这项发明提供了具有通式（I）的新型杂环化合物及其药学上可接受的盐，其中R1至R4、m、n和p如本文所述。通式（I）。还提供了包括这些化合物的药物组合物、制造这些化合物的方法以及将这些化合物用作药物的方法，特别是将这些化合物用作抗生素治疗或预防细菌感染及由此导致的疾病的方法。
• Heterocyclic compounds useful as oxido-squalene cyclase inhibitors
  申请人：Zeneca Limited

  公开号：US06440972B1

  公开（公告）日：2002-08-27

  This invention concerns heterocyclic derivatives of formula (I) which are useful in inhibiting oxido-squalene cyclase, processes for their preparation and pharmaceutical compositions containing them. The present invention is also concerned with heterocyclic derivatives capable of inhibiting cholesterol biosynthesis and hence the lowering cholesterol levels in blood plasma. The present invention also relates to methods of using such heterocyclic derivatives in diseases and medical conditions such as hypercholesterolemia and atherosclerosis.

  这项发明涉及式(I)的杂环衍生物，其在抑制氧化齿萜环化酶方面具有用途，以及其制备方法和含有它们的药物组合物。本发明还涉及能够抑制胆固醇生物合成并因此降低血浆胆固醇水平的杂环衍生物。本发明还涉及在高胆固醇血症和动脉粥样硬化等疾病和医疗状况中使用这种杂环衍生物的方法。
• PI3 KINASE INHIBITORS AND USES THEREOF
  申请人：NIU DEQIANG

  公开号：US20110230476A1

  公开（公告）日：2011-09-22

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• [EN] N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHÉNYL)BENZAMIDE
  申请人：NOVARTIS AG

  公开号：WO2019186343A1

  公开（公告）日：2019-10-03

  The invention relates to compounds of the formula (I) (I) or a pharmaceutically acceptable salt thereof, wherein the substituents are as defined in the specification; to intermediates in the preparation of the compounds, to pharmaceutical compositions comprising the compounds and to use of the compounds in the treatment of disease.

  该发明涉及公式（I）的化合物或其药用可接受的盐，其中取代基如规范中定义；涉及制备该化合物的中间体，包括该化合物的药物组合物以及该化合物在治疗疾病中的用途。