<2-Cyan-phenoxy>-acetylchlorid | 20143-39-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: <2-Cyan-phenoxy>-acetylchlorid
• 英文别名: 2-Cyanophenoxyacetic acid chloride；2-(2-cyanophenoxy)acetyl chloride
• CAS: 20143-39-9
• 化学式: C₉H₆ClNO₂
• 分子量: 195.605
• InChiKey: YIGFEGVKCGLVHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  <2-Cyan-phenoxy>-acetylchlorid 在 三乙胺 作用下， 以 乙醚 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.75h， 生成 N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-2-(2-cyanophenoxy)acetamide
  参考文献：
  名称：

  Synthesis, Biological Evaluation, and Structure–Activity Relationships of Potent Noncovalent and Nonpeptidic Cruzain Inhibitors as Anti-Trypanosoma cruzi Agents

  摘要：

  The development of cruzain inhibitors has been driven by the urgent need to develop novel and more effective drugs for the treatment of Chagas' disease. Herein, we report the lead optimization of a class of noncovalent cruzain inhibitors, starting from an inhibitor previously cocrystallized with the enzyme (K(i) = 0.8 μM). With the goal of achieving a better understanding of the structure-activity relationships, we have synthesized and evaluated a series of over 40 analogues, leading to the development of a very promising competitive inhibitor (8r, IC50 = 200 nM, K(i) = 82 nM). Investigation of the in vitro trypanocidal activity and preliminary cytotoxicity revealed the potential of the most potent cruzain inhibitors in guiding further medicinal chemistry efforts to develop drug candidates for Chagas' disease.

  DOI：

  10.1021/jm401709b
• 作为产物：
  描述：

  (2-氰基苯氧基)乙酸 在 N,N-二甲基甲酰胺 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 <2-Cyan-phenoxy>-acetylchlorid
  参考文献：
  名称：

  Modulators of indoleamine 2,3-dioxygenase and methods of using the same

  摘要：

  本发明涉及色氨酸2,3-二氧化酶（IDO）的调节剂，以及其组合物和药用方法。

  公开号：

  US20060258719A1

文献信息

• Modulators of indoleamine 2,3-dioxygenase and methods of using the same
  申请人：Combs P. Andrew

  公开号：US20060258719A1

  公开（公告）日：2006-11-16

  The present invention is directed to modulators of indoleamine 2,3-dioxygenase (IDO), as well as compositions and pharmaceutical methods thereof.

  本发明涉及色氨酸2,3-二氧化酶（IDO）的调节剂，以及其组合物和药用方法。
• 2-Arylbenzoxazoles as novel cholesteryl ester transfer protein inhibitors: Optimization via array synthesis
  作者：Lalgudi S. Harikrishnan、Muthoni G. Kamau、Timothy F. Herpin、George C. Morton、Yalei Liu、Christopher B. Cooper、Mark E. Salvati、Jennifer X. Qiao、Tammy C. Wang、Leonard P. Adam、David S. Taylor、Alice Ye A. Chen、Xiaohong Yin、Ramakrishna Seethala、Tara L. Peterson、David S. Nirschl、Arthur V. Miller、Carolyn A. Weigelt、Kingsley K. Appiah、Jonathan C. O’Connell、R. Michael Lawrence

  DOI：10.1016/j.bmcl.2008.03.030

  日期：2008.4

  2-Arylbenzoxazole 5 was identified as a hit from a fluorescence-based high-throughput screen for CETP inhibitors. The synthesis and SAR investigation employing array synthesis of the A- and B-rings are described.

  从CETP抑制剂的基于荧光的高通量筛选中，鉴定出2-芳基苯并恶唑5为命中物。描述了利用A环和B环的阵列合成进行的合成和SAR研究。
• Novel heteroaryl substituted piperidine derivatives which are L-CPT1 inhibitors
  申请人：Ackermann Jean

  公开号：US20070129544A1

  公开（公告）日：2007-06-07

  The invention is concerned with novel substituted piperidine derivatives of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and X are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit L-CPT1 and can be used as medicaments.

  这项发明涉及式(I)的新型替代哌啶衍生物，其中R1、R2、R3、R4、R5、R6、R7和X的定义如说明书和权利要求中所述，以及其生理上可接受的盐和酯。这些化合物抑制L-CPT1，可用作药物。
• BENZOFURAN DERIVATIVE
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1489078B1

  公开（公告）日：2010-01-06
• US7645776B2
  申请人：——

  公开号：US7645776B2

  公开（公告）日：2010-01-12