(1-Isopropyl-piperidin-4-ylmethyl)-carbamic acid tert-butyl ester | 534595-60-3

• 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: (1-Isopropyl-piperidin-4-ylmethyl)-carbamic acid tert-butyl ester
• 英文别名: tert-Butyl [(1-isopropylpiperidin-4-yl)methyl]carbamate；tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
• CAS: 534595-60-3
• 化学式: C₁₄H₂₈N₂O₂
• mdl: MFCD18378193
• 分子量: 256.389
• InChiKey: QSOQTGMDBTXCKG-UHFFFAOYSA-N

物化性质

• 沸点：
  343.8±15.0 °C(Predicted)
• 密度：
  0.965±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.928
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-Isopropyl-piperidin-4-ylmethyl)-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 18.0h， 生成 (2S)-1-(9H-Carbazol-4-yloxy)-3-[(1-isopropyl-piperidin-4-ylmethyl)-amino]-propan-2-ol
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 1: aryloxypropanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of human beta(3) adrenoreceptor agonists based on a template derived from a common pharmacophore coupled with 4-aminomethylpiperidine is described. Potent and selective agents were identified such as 26 that was in vitro active in CHO cells expressing human beta(3)-AR (EC50 = 49 nNl, IA = 1.1), and in vivo active in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00607-8
• 作为产物：
  描述：

  4-Boc-氨甲基哌啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 (1-Isopropyl-piperidin-4-ylmethyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 1: aryloxypropanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of human beta(3) adrenoreceptor agonists based on a template derived from a common pharmacophore coupled with 4-aminomethylpiperidine is described. Potent and selective agents were identified such as 26 that was in vitro active in CHO cells expressing human beta(3)-AR (EC50 = 49 nNl, IA = 1.1), and in vivo active in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00607-8

文献信息

• New indole derivatives as factor Xa inhibitors
  申请人：——

  公开号：US20030199689A1

  公开（公告）日：2003-10-23

  The present invention relates to compounds of formula I, 1 in which R 0 ; R 1 ; R 2 ; R 3 ; R 4 ; R 5 ; R 6 ; R 7 ; Q; V, G and M have the meanings indicated in the claims. The compounds of formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is indicated. The invention furthermore relates to processes for the preparation of compounds of formula I, their use, in particular as pharmaceuticals for treating the foregoing conditions, and pharmaceutical preparations comprising them.

  本发明涉及具有式I的化合物，其中R0；R1；R2；R3；R4；R5；R6；R7；Q；V，G和M具有索赔中指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病如血栓栓塞疾病或再狭窄。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子Xa和/或因子VIIa不良活性的情况，或者在其治疗或预防需要抑制因子Xa和/或因子VIIa的情况下。此外，本发明还涉及制备式I化合物的方法，它们的用途，特别是作为用于治疗上述疾病的药物，以及包含它们的制剂。
• Pyrazole-derivatives as factor Xa inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1433788A1

  公开（公告）日：2004-06-30

  The present invention relates to compounds of the formula I, in which R0 ; R1 ; R2 ; R3 ; R4; Q; V, G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I的化合物，其中R0；R1；R2；R3；R4；Q；V，G和M具有索赔中指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞疾病或再狭窄。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于因子Xa和/或因子VIIa的不良活性存在的情况，或者用于治疗或预防需要抑制因子Xa和/或因子VIIa的情况。此外，本发明涉及式I化合物的制备方法，它们的使用，特别是作为药物活性成分以及含有它们的药物制剂。
• 9-SUBSTITUTED PHENANTHRENE BASED TYLOPHORINE DERIVATIVES
  申请人：Lee Kuo-Hsiung

  公开号：US20120029018A1

  公开（公告）日：2012-02-02

  The present invention provides compounds of Formula I: compositions containing the same, and methods of use thereof such as for the treatment of cancer.

  本发明提供了I式化合物：包含相同化合物的组合物以及其使用方法，例如用于癌症治疗。
• PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS
  申请人：NAZARE Marc

  公开号：US20100010045A1

  公开（公告）日：2010-01-14

  The present invention is directed to a compound of formula I, in which R 0 ; R 1 ; R 2 ; R 3 ; R 4 ; Q; V, G and M have the meanings indicated below. The compound of formula I is a pharmacologically active compound. It exhibits a strong anti-thrombotic effect and is suitable, for example, for the therapy and prophylaxis of a cardio-vascular disorder like a thromboembolic disease or restenosis. It is a reversible inhibitor of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore is directed to a process for the preparation of the compound of formula I, and pharmaceutical preparation comprising it.

  本发明涉及一种化合物I，其中R0; R1; R2; R3; R4; Q; V，G和M具有下面指示的含义。化合物I是一种药理活性化合物。它表现出强烈的抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它是血凝酶酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子Xa和/或因子VIIa不良活性的情况或预防因子Xa和/或因子VIIa抑制剂治疗或预防的情况。此外，本发明还涉及一种制备化合物I的方法和包含它的药物制剂。
• ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF
  申请人：Ohno Michihiro

  公开号：US20100016319A1

  公开（公告）日：2010-01-21

  This invention relates to a pharmaceutical comprising as an effective ingredient an arylmethylene urea exemplified by the following formula: or a pharmaceutically acceptable salt thereof. The arylmethylene urea and the pharmaceutically acceptable salts thereof are useful for therapy or prophylaxis of inflammatory bowel disease and overactive bladder.

  本发明涉及一种药物，其有效成分为以下式子所示的芳基亚甲基脲或其药学上可接受的盐： 该芳基亚甲基脲及其药学上可接受的盐可用于治疗或预防炎症性肠病和过度活跃的膀胱。