N-(2-methylthioethyl)trifluoroacetamide | 166252-92-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2-methylthioethyl)trifluoroacetamide
• 英文别名: 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide
• CAS: 166252-92-2
• 化学式: C₅H₈F₃NOS
• 分子量: 187.186
• InChiKey: ZTNUCKSQJANOAC-UHFFFAOYSA-N

物化性质

• 沸点：
  234.2±40.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-methylthioethyl)trifluoroacetamide 在 Oxone 作用下， 以 甲醇 为溶剂， 生成 [2-(甲基磺酰基)乙基]三氟乙酰胺
  参考文献：
  名称：

  Synthesis and SAR of potent EGFR/erbB2 dual inhibitors

  摘要：

  A series of 6-alkoxy-4-anilinoquinazoline compounds was prepared and evaluated for in vitro inhibition of the erbB2 and EGFR kinase activity. The IC50 values of the best compounds were below 0.10 uM. Further, several of these compounds inhibit the growth of erbB2 and EGFR over-expressing tumor cell lines at concentrations below I uM. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.010
• 作为产物：
  描述：

  2-(甲硫基)乙胺 、 三氟甲磺酸酐 在 TEA 作用下， 生成 N-(2-methylthioethyl)trifluoroacetamide
  参考文献：
  名称：

  Synthesis and SAR of potent EGFR/erbB2 dual inhibitors

  摘要：

  A series of 6-alkoxy-4-anilinoquinazoline compounds was prepared and evaluated for in vitro inhibition of the erbB2 and EGFR kinase activity. The IC50 values of the best compounds were below 0.10 uM. Further, several of these compounds inhibit the growth of erbB2 and EGFR over-expressing tumor cell lines at concentrations below I uM. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.010

文献信息

• Heterocyclic compounds
  申请人：——

  公开号：US20020147214A1

  公开（公告）日：2002-10-10

  Substituted heteroaromatic compounds, and in particular substituted quinolines and quinazolines, are protein tyrosine kinase inhibitors. The compounds are described as are methods for their preparation, pharmaceutical compositions including such compounds and their use in medicine, for example in the treatment of cancer and psoriasis.

  取代杂环芳香化合物，特别是取代喹啉和喹唑啉，是蛋白酪氨酸激酶抑制剂。本文描述了这些化合物的制备方法、包括这些化合物的制药组合物以及它们在医学上的应用，例如在癌症和牛皮癣的治疗中。
• Fused heterocyclic compounds as protein tyrosine kinase inhibitors
  申请人：SmithKline Beecham Corporation

  公开号：US06391874B1

  公开（公告）日：2002-05-21

  Substituted heteroaromatic compounds of formula (I) and in particular substituted quinolines and quinazolines, are protein tyrosine kinase inhibitors. The compounds are described as are methods for their preparation, pharmaceutical compositions including such compounds and their use in medicine, for example in the treatment of cancer and psoriasis, or a salt or solvate thereof; wherein X is N or CH; Y is a group W(CH2), (CH2)W, or W, in which W is O, S(O)m wherein m is 0, 1 or 2, or NRa wherein Ra is hydrogen or a C1-8 alkyl group; R1 represents a phenyl group or a 5- or 6-membered heterocyclic ring containing 1 to 4 heteroatoms selected from N, O or S(O)m, wherein m is as defined above, with the provisos that the ring does not contain two adjacent O or S(O)m atoms and that where the ring contains only N as heteroatom(s) the ring is C-linked to the quinazoline or quinoline ring, R1 being optionally substituted by one or more R3;groups; P=0 to 3; U, R2, R3 are as defined in the application.

  式(I)的取代杂环芳香化合物，特别是取代喹啉和喹唑啉，是蛋白酪氨酸激酶抑制剂。该化合物的制备方法、包括该化合物的制药组合物以及其在医学上的用途，例如用于癌症和牛皮癣的治疗，或其盐或溶剂；其中X为N或CH；Y为W(CH2)、(CH2)W或W的基团，其中W为O、S(O)m，其中m为0、1或2，或NRa，其中Ra为氢或C1-8烷基基团；R1代表苯基或含有1至4个异原子的5-或6元杂环环，所述异原子选择自N、O或S(O)m，其中m如上所定义，但须满足该环不含有两个相邻的O或S(O)m原子，且当该环仅含有N作为异原子时，该环与喹唑啉或喹啉环为C键连接，R1可被一个或多个R3基团取代；P=0至3；U、R2、R3如申请书中所定义。
• Synthesis and SAR of potent EGFR/erbB2 dual inhibitors
  作者：Yue-Mei Zhang、Stuart Cockerill、Stephen B. Guntrip、David Rusnak、Kathryn Smith、Dana Vanderwall、Edgar Wood、Karen Lackey

  DOI：10.1016/j.bmcl.2003.10.010

  日期：2004.1

  A series of 6-alkoxy-4-anilinoquinazoline compounds was prepared and evaluated for in vitro inhibition of the erbB2 and EGFR kinase activity. The IC50 values of the best compounds were below 0.10 uM. Further, several of these compounds inhibit the growth of erbB2 and EGFR over-expressing tumor cell lines at concentrations below I uM. (C) 2003 Elsevier Ltd. All rights reserved.