2-甲基-2-丙基(3S)-3-({[(苄氧基)羰基]氨基}甲基)-1-哌啶羧酸酯 | 140645-87-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲基-2-丙基(3S)-3-({[(苄氧基)羰基]氨基}甲基)-1-哌啶羧酸酯
• 中文别名: 苯酚,2-氨基-5-(1-甲基乙基)-(9CI)
• 英文名称: (S)-<<(benzyloxycarbonyl)amino>methyl>piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: 1,1-dimethylethyl (3S)-3-[({[(phenylmethyl)oxy]carbonyl}amino)methyl]-1-piperidinecarboxylate；(S)-3-[(benzyloxycarbonylamino)methyl]-piperidin-1-ylcarboxylic acid tert-butyl ester；benzyl ((S)-1-(tert-butoxycarbonyl)piperidin-3-yl)methyl-carbamate；(S)-1-Boc-3-(Cbz-amino-methyl)-piperidine；tert-butyl (3S)-3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
• CAS: 140645-87-0
• 化学式: C₁₉H₂₈N₂O₄
• 分子量: 348.442
• InChiKey: IKKHJUNAQMPJBI-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基(3S)-3-({[(苄氧基)羰基]氨基}甲基)-1-哌啶羧酸酯 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 R-3-N-CBZ-AMINOMETHYL PIPERIDINE-HCl
  参考文献：
  名称：

  [EN] QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS
  [FR] QUINAZOLINES UTILES EN TANT QUE MODULATEURS DE CANAUX IONIQUES

  摘要：

  本发明涉及作为电压门控钠通道抑制剂的化合物。该发明还提供了包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。

  公开号：

  WO2006028904A1
• 作为产物：
  描述：

  (R)-1-Boc-3-羟甲基哌啶 在 palladium on activated charcoal sodium hydroxide 、 sodium azide 、 氢气 、 四丁基硫酸氢铵 、 三乙胺 作用下， 以 乙醇 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 50.0 ℃ 、1000.0 kPa 条件下， 反应 30.0h， 生成 2-甲基-2-丙基(3S)-3-({[(苄氧基)羰基]氨基}甲基)-1-哌啶羧酸酯
  参考文献：
  名称：

  Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors

  摘要：

  Thrombin, a serine protease, plays a central role in the initiation and propagation of thrombotic events. An extensive search for new thrombin inhibitors was performed, using an unconventional approach. Screening of small basic molecules for binding in the recognition pocket of thrombin led to the discovery of (aminoiminomethyl)piperidine (amidinopiperidine) as a weak, but intrinsically selective, thrombin inhibitor. Elaboration of this molecule provided compounds which inhibit thrombin with K-i's in the range of 20-50 nM and with selectivities of 1000-4000 against trypsin. These inhibitor compounds show a new and unexpected, binding mode to thrombin. Modification of the central building block and then of one of the hydrophobic substituents led to the discovery of a new family of thrombin inhibitors which has reverted td the former binding mode to thrombin. This last class of compounds shows inhibitory activities in the picomolar range; low toxicity; and a short plasma half life which favors its use for an intravenous application. From this series of thrombin;inhibitors, 19f (Ro 46-6240) was selected for clinical development as an antithrombotic agent for intravenous administration.

  DOI：

  10.1021/jm00049a008

文献信息

• Guanidine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05595999A1

  公开（公告）日：1997-01-21

  Compounds of the formula ##STR1## wherein L, M, R, T and X are set forth in the description, as well as hydrates or solvates thereof, which inhibit thrombin-induced platelet aggregation and clotting of fibrinogen in plasma, are described. The compounds of formula I are prepared by amidination or, depending on whether L is NH or O, by amide formation or esterification.

  该文描述了公式##STR1##中L，M，R，T和X所示的化合物及其水合物或溶剂化物，这些化合物能够抑制血栓素诱导的血小板聚集和血浆中纤维蛋白原的凝固。公式I的化合物通过酰胺化或酰胺形成或酯化制备，具体取决于L是NH还是O。
• Guanidine derivatives compositions and use
  申请人：Hofmann-La Roche Inc.

  公开号：US05260307A1

  公开（公告）日：1993-11-09

  Compounds of the formula ##STR1## wherein L, M, R, T and X are set forth in the description, as well as hydrates or solvates thereof, which inhibit thrombin-induced platelet aggregation and clotting of fibrinogen in plasma, are described. The compounds of formula I are prepared by amidination or, depending on whether L is NH or O, by amide formation or esterification.

  本发明涉及式##STR1##的化合物，其中L、M、R、T和X在说明中给出，以及其水合物或溶剂化物，这些化合物可以抑制血栓素诱导的血小板聚集和纤维蛋白原在血浆中的凝固。式I的化合物通过酰胺化或酰胺形成或酯化制备，具体取决于L是NH还是O。
• Quinazolines useful as modulators of ion channels
  申请人：Wilson Dean

  公开号：US20060173018A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds useful as inhibitors of voltage-gated sodium channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及作为电压门控钠通道抑制剂有用的化合物。本发明还提供了包括本发明化合物的药学上可接受的组合物，以及使用这些组合物治疗各种疾病的方法。
• Heterocyclic Compounds, their Preparation and their Use as Antibacterials
  申请人：Caileau Nathalie

  公开号：US20090036433A1

  公开（公告）日：2009-02-05

  Tricyclic nitrogen containing compounds of formula (I) and their use as antibacterials.

  公式（I）中含有三环氮化合物及其作为抗菌剂的用途。
• DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES
  申请人：Ballell Llius

  公开号：US20090270374A1

  公开（公告）日：2009-10-29

  Bicyclic nitrogen containing compounds and their use as antibacterials.

  双环氮含有化合物及其作为抗菌剂的应用。