2-(1,1,2,2-四氟乙氧基)苯甲醛 | 85187-22-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(1,1,2,2-四氟乙氧基)苯甲醛
• 英文名称: 2-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde
• CAS: 85187-22-0
• 化学式: C₉H₆F₄O₂
• mdl: MFCD00039571
• 分子量: 222.139
• InChiKey: XYNDDBJXUBHBOI-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  T
• 海关编码：
  2913000090

反应信息

• 作为反应物：
  描述：

  2-(1,1,2,2-四氟乙氧基)苯甲醛 、 叔丁基3,9-二氮杂螺[5.5]十一烷-3-甲酸酯 在 sodium triacetoxyborohydride 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Increasing Selectivity of CC Chemokine Receptor 8 Antagonists by Engineering Nondesolvation Related Interactions with the Intended and Off-Target Binding Sites

  摘要：

  The metabolic stability and selectivity of a series of CCR8 antagonists against binding to the hERG ion channel and cytochrome Cyp2D6 are studied by principal component analysis. It is demonstrated that an efficient way of increasing metabolic stability and selectivity of this series is to decrease compound lipophilicity by engineering nondesolvation related attractive interactions with CCR8, as rationalized by three-dimensional receptor models. Although Such polar interactions led to increased compound selectivity, such a strategy could also jeopardize the DMPK profile of compounds. However, once increased potency is found, the lipophilicity can be readjusted by engineering hydrophobic substituents that fit to CCR8 but do not fit to hERG. Several such lipophilic fragments are identified by two-dimensional fragment-based QSAR analysis. Electrophysiological measurements and site-directed mutagenesis studies indicated that the repulsive interactions of these fragments with hERG are caused by steric hindrances with residue F656.

  DOI：

  10.1021/jm900713y

文献信息

• 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS
  申请人：Kuo Gee-Hong

  公开号：US20070265252A1

  公开（公告）日：2007-11-15

  The invention is directed to compounds of Formula (I) described herein useful as CETP inhibitors, compositions containing them, and methods of using them.

  本发明涉及式(I)化合物，所述化合物作为CETP抑制剂是有用的，包含它们的组合物以及使用它们的方法。
• Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity
  申请人：G.D. Searle & Co.

  公开号：US20030125329A1

  公开（公告）日：2003-07-03

  The invention relates to substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamine compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases.

  本发明涉及用作胆固醇酯转移蛋白（CETP;血浆脂质转移蛋白-I）抑制剂的取代多环芳基和杂环芳基三级杂-杂烷基胺化合物，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。
• INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES
  申请人：Niyaz Noormohamed M.

  公开号：US20090093481A1

  公开（公告）日：2009-04-09

  (1,3,5)-Triazinyl phenyl hydrazones are effective at controlling insects.

  (1,3,5)-三嗪基苯肼是有效控制昆虫的。
• Insecticidal (1,3,5)-triazinyl phenyl hydrazones
  申请人：Dow AgroSciences LLC

  公开号：US08067588B2

  公开（公告）日：2011-11-29

  (1,3,5)-Triazinyl phenyl hydrazones are effective at controlling insects.

  (1,3,5)-三嗪基苯肼类化合物对于控制昆虫具有有效性。
• MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2102176A2

  公开（公告）日：2009-09-23