Ethyl 2-(trideuteriomethyl)-1,3-thiazole-4-carboxylate | 1443118-25-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ethyl 2-(trideuteriomethyl)-1,3-thiazole-4-carboxylate
• CAS: 1443118-25-9
• 化学式: C₇H₉NO₂S
• 分子量: 174.196
• InChiKey: QWWPUBQHZFHZSF-BMSJAHLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 2-(trideuteriomethyl)-1,3-thiazole-4-carboxylate 在 deutero lithium aluminiumhydride 作用下， 以 四氢呋喃 为溶剂， 以66%的产率得到Dideuterio-[2-(trideuteriomethyl)-1,3-thiazol-4-yl]methanol
  参考文献：
  名称：

  Synthesis and pharmacokinetic profile of highly deuterated brecanavir analogs

  摘要：

  Several highly deuterated analogs of the HIV-1 protease inhibitor brecanavir have been prepared to study the effect of deuterium upon metabolic stability. The sites for deuterium incorporation were initially chosen to maximize the potential for a kinetic isotope effect; locations where C-H bond breaking is the rate limiting step. The analogs have been profiled in both in vitro and in vivo pharmacokinetic studies and the result will be described herein. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.02.001
• 作为产物：
  描述：

  3-溴丙酮酸乙酯 、 2-Trideutero-thioacetamid 以 氘代甲醇 为溶剂， 以98%的产率得到Ethyl 2-(trideuteriomethyl)-1,3-thiazole-4-carboxylate
  参考文献：
  名称：

  Synthesis and pharmacokinetic profile of highly deuterated brecanavir analogs

  摘要：

  Several highly deuterated analogs of the HIV-1 protease inhibitor brecanavir have been prepared to study the effect of deuterium upon metabolic stability. The sites for deuterium incorporation were initially chosen to maximize the potential for a kinetic isotope effect; locations where C-H bond breaking is the rate limiting step. The analogs have been profiled in both in vitro and in vivo pharmacokinetic studies and the result will be described herein. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.02.001

文献信息

• HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES
  申请人：Harbeson Scott L.

  公开号：US20100305173A1

  公开（公告）日：2010-12-02

  This invention relates to novel hydroxyethylamino sulfonamides, their derivatives, pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a compound with the ability to act as an HIV (human immunodeficiency virus) protease inhibitor.

  本发明涉及一种新型的羟乙基氨基磺酰胺及其衍生物、其药学上可接受的盐。本发明还提供了包含本发明化合物的组合物，并使用这些组合物治疗通过给予具有作为HIV（人类免疫缺陷病毒）蛋白酶抑制剂能力的化合物有益的疾病和病况的方法。