methyl 4-(tert-butyl)-2-(1-Boc-piperidin-4-yloxy)-benzoate | 852370-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-(tert-butyl)-2-(1-Boc-piperidin-4-yloxy)-benzoate
• 英文别名: methyl 4-(tert-butyl)-2-(1-Boc-piperidin-4-yloxy)benzoate；tert-butyl 4-(5-tert-butyl-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
• CAS: 852370-25-3
• 化学式: C₂₂H₃₃NO₅
• 分子量: 391.508
• InChiKey: BVJDYQOSBWHWBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  487.3±45.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(tert-butyl)-2-(1-Boc-piperidin-4-yloxy)-benzoate 在 吡啶 、 盐酸 、 lithium hydroxide 、 草酰氯 、 sodium cyanoborohydride 、 溶剂黄146 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 生成 4-tert-butyl-N-[2-[(5-chloropyridin-2-yl)carbamoyl]phenyl]-2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
  参考文献：
  名称：

  Anthranilamide inhibitors of factor Xa

  摘要：

  SAR about the B-ring of a series of N-2-aroyl anthranilamide factor Xa (tXa) inhibitors is described. B-ring o-aminoalkylether and B-ring p-amine probes of the S1' and S4 sites, respectively, afforded picomolar fXa inhibitors that performed well in in vitro anticoagulation assays. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.051
• 作为产物：
  描述：

  3-叔丁基苯酚 在 盐酸 、 偶氮二甲酸二异丙酯 、 叔丁基锂 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 methyl 4-(tert-butyl)-2-(1-Boc-piperidin-4-yloxy)-benzoate
  参考文献：
  名称：

  Anthranilamide inhibitors of factor Xa

  摘要：

  SAR about the B-ring of a series of N-2-aroyl anthranilamide factor Xa (tXa) inhibitors is described. B-ring o-aminoalkylether and B-ring p-amine probes of the S1' and S4 sites, respectively, afforded picomolar fXa inhibitors that performed well in in vitro anticoagulation assays. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.051

文献信息

• AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS
  申请人：Argade Ankush Baburao

  公开号：US20090227566A1

  公开（公告）日：2009-09-10

  This application relates to a compound of formula (I) (or a pharmaceutically acceptable salt of the compound or prodrug thereof) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor. An example of a compound of formula (I) is (a).

  本发明涉及公式(I)的化合物(或其药学上可接受的盐或前药)、其制药组合物以及其作为Xa因子和/或凝血酶抑制剂的用途，以及其制备过程和中间体。公式(I)的化合物的一个例子是(a)。
• Antithrombotic aromatic ethers
  申请人：Franciskovich Bernard Jeffry

  公开号：US20070027185A1

  公开（公告）日：2007-02-01

  This application relates to a compound of formula I (or a prodrug thereof or a pharmaceutically acceptable salt of the compound or prodrug thereof) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor.

  本申请涉及化合物I的配方（或其前药或其药学上可接受的盐或前药的药物组成物），如此处所定义，其用作因子Xa和/或凝血酶的抑制剂，以及其制备过程和其中间体。
• Antithrombotic Diamides
  申请人：Franciskovich Jeffry Bernard

  公开号：US20090062271A1

  公开（公告）日：2009-03-05

  This application relates to a compound of formula I (or a pharmaceutically acceptable salt of the compound) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor.

  本申请涉及公式I化合物（或其药学上可接受的盐），其制药组合物，以及其作为Xa因子和/或凝血酶抑制剂的用途，以及其制备过程和中间体。
• Antithrombotic diamides
  申请人：Eli Lilly and Company

  公开号：US07666866B2

  公开（公告）日：2010-02-23

  This application relates to a compound of formula (I) (or a pharmaceutically acceptable salt of the compound) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor.

  本发明涉及公式（I）的化合物（或该化合物的药学上可接受的盐），其制药组合物，以及其作为因子Xa和/或凝血酶的抑制剂的用途，以及其制备方法和中间体。
• Aromatic ether derivatives useful as thrombin inhibitors
  申请人：Eli Lilly and Company

  公开号：US07700628B2

  公开（公告）日：2010-04-20

  This application relates to a compound of formula (I) (or a pharmaceutically acceptable salt of the compound or prodrug thereof) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor. An example of a compound of formula (I) is (a).

  本申请涉及公式（I）的化合物（或其药学上可接受的盐或前药）、其制药组合物以及其作为因子Xa和/或凝血酶抑制剂的用途，以及其制备方法和中间体。公式（I）的一种化合物示例如（a）。