methyl 4-tert-butyl-2-hydroxybenzoate | 21003-83-8

• 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-hydroxybenzoate
• CAS: 21003-83-8
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: BZVFPKKNWFNYHW-UHFFFAOYSA-N

物化性质

• 沸点：
  288.6±28.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4-tert-butyl-2-hydroxybenzoate 在 lithium hydroxide 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 2-(3-tert-butoxycarbonylaminopropoxy)-4-tert-butylbenzoic acid
  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 、 叔丁基锂 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 4-tert-butyl-2-hydroxybenzoate
  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

• [EN] AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS<br/>[FR] AMIDES UTILES EN TANT QU'INHIBITEURS DE CANAUX SODIQUES SENSIBLES AU VOLTAGE
  申请人：VERTEX PHARMA

  公开号：WO2009049181A1

  公开（公告）日：2009-04-16

  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.

  本发明涉及用作电压门控钠通道抑制剂的化合物。该发明还提供了包括该发明化合物的药用可接受的组合物，以及在治疗各种疾病中使用这些组合物的方法。
• [EN] ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS<br/>[FR] ARYL AMIDES UTILES EN TANT QU'INHIBITEURS DE CANAUX SODIQUES SENSIBLES AU VOLTAGE
  申请人：VERTEX PHARMA

  公开号：WO2009049183A1

  公开（公告）日：2009-04-16

  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.

  本发明涉及一种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。
• ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS
  申请人：Chen Weichuan Caroline

  公开号：US20090118338A1

  公开（公告）日：2009-05-07

  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.

  本发明涉及用作电压门控钠通道抑制剂的化合物。本发明还提供了包含本发明化合物的药学上可接受的组合物以及使用该组合物治疗各种疾病的方法。
• AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS
  申请人：Chen Weichuan Caroline

  公开号：US20090118333A1

  公开（公告）日：2009-05-07

  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.

  本发明涉及用作电压门控钠通道抑制剂的化合物。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。
• 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)。