tert-butyl (3-amino-4-fluorobenzyl)carbamate | 657409-24-0

• 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: tert-butyl (3-amino-4-fluorobenzyl)carbamate
• 英文别名: Tert-butyl 3-amino-4-fluorobenzylcarbamate；tert-butyl N-[(3-amino-4-fluorophenyl)methyl]carbamate
• CAS: 657409-24-0
• 化学式: C₁₂H₁₇FN₂O₂
• 分子量: 240.278
• InChiKey: ZESPVVPBNKPRRE-UHFFFAOYSA-N

物化性质

• 沸点：
  379.2±32.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 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：

  tert-butyl (3-amino-4-fluorobenzyl)carbamate 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 1-[[3-[Bis(methylsulfonyl)amino]-4-fluorophenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea
  参考文献：
  名称：

  Novel non-vanilloid VR1 antagonist of high analgesic effects and its structural requirement for VR1 antagonistic effects

  摘要：

  A novel non-vanilloid VR1 antagonist consisting of a new vanilloid equivalent exhibits excellent analgesic effects as well as highly potent antagonistic activities in both capsaicin single channel and calcium uptake assays. In addition, the structural requirement for the vanilloid equivalent of the potent VR1 antagonist has also been elucidated. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.024
• 作为产物：
  描述：

  4-氟-3-硝基苯甲醛 在 吡啶 、 sodium tetrahydroborate 、 盐酸羟胺 、 nickel dichloride 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 tert-butyl (3-amino-4-fluorobenzyl)carbamate
  参考文献：
  名称：

  Novel non-vanilloid VR1 antagonist of high analgesic effects and its structural requirement for VR1 antagonistic effects

  摘要：

  A novel non-vanilloid VR1 antagonist consisting of a new vanilloid equivalent exhibits excellent analgesic effects as well as highly potent antagonistic activities in both capsaicin single channel and calcium uptake assays. In addition, the structural requirement for the vanilloid equivalent of the potent VR1 antagonist has also been elucidated. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.024

文献信息

• Multicyclic bis-amide MMP inhibitors
  申请人：Powers Timothy

  公开号：US20060173183A1

  公开（公告）日：2006-08-03

  The present invention relates generally to bis-amide group containing pharmaceutical agents, and in particular, to multicyclic bis-amide MMP-13 inhibitor compounds. More particularly, the present invention provides a new class of MMP-13 inhibiting compounds, containing a pyrimidinyl bis-amide group in combination with a heterocyclic moiety, that exhibit an increased potency and solubility in relation to currently known bis-amide group containing MMP-13 inhibitors.

  本发明总体涉及含有双酰胺基团的药物制剂，特别是多环双酰胺MMP-13抑制剂化合物。更具体地，本发明提供了一类新型的MMP-13抑制化合物，它们含有与杂环部分结合的嘧啶基双酰胺基团，与目前已知含双酰胺基团的MMP-13抑制剂相比，显示出增加的活性和溶解度。
• HETEROCYCLIC COMPOUND AND USE THEREOF
  申请人：Hirose Masaaki

  公开号：US20100249119A1

  公开（公告）日：2010-09-30

  The present invention provides a heterocyclic compound having a strong Raf inhibitory activity, which is represented by the following formula wherein each substituent is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强烈的Raf抑制活性的杂环化合物，其由以下公式表示，其中每个取代基如本规范中所定义的，或其盐。
• Heterocyclic compound and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08344135B2

  公开（公告）日：2013-01-01

  The present invention provides a heterocyclic compound having a strong Raf inhibitory activity, which is represented by the following formula wherein each substituent is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强烈的Raf抑制活性的杂环化合物，其表示为以下式子，其中每个取代基如本说明书中所定义的，或其盐。
• Novel non-vanilloid VR1 antagonist of high analgesic effects and its structural requirement for VR1 antagonistic effects
  作者：Young-Ger Suh、Yong-Sil Lee、Kyung-Hoon Min、Ok-Hui Park、Ho-Sun Seung、Hee-Doo Kim、Hyoung-Geun Park、Ji-Yeon Choi、Jeewoo Lee、Sang-Wook Kang、Uh-taek Oh、Jae-yeon Koo、Yung-Hyup Joo、Sun-Young Kim、Jin Kwan Kim、Young-Ho Park

  DOI：10.1016/j.bmcl.2003.09.024

  日期：2003.12

  A novel non-vanilloid VR1 antagonist consisting of a new vanilloid equivalent exhibits excellent analgesic effects as well as highly potent antagonistic activities in both capsaicin single channel and calcium uptake assays. In addition, the structural requirement for the vanilloid equivalent of the potent VR1 antagonist has also been elucidated. (C) 2003 Elsevier Ltd. All rights reserved.