(3-benzyloxy-5-ethoxy-phenyl)-methanol | 906079-94-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (3-benzyloxy-5-ethoxy-phenyl)-methanol
• 英文别名: 3-Ethoxy-5-(phenylmethoxy)benzenemethanol；(3-ethoxy-5-phenylmethoxyphenyl)methanol
• CAS: 906079-94-5
• 化学式: C₁₆H₁₈O₃
• 分子量: 258.317
• InChiKey: PGSHVDJGXKTXEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-benzyloxy-5-ethoxy-phenyl)-methanol 在 manganese(IV) oxide 作用下， 以 1,2-二氯乙烷 为溶剂， 以81%的产率得到3-benzyloxy-5-ethoxy-benxaldehyde
  参考文献：
  名称：

  Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors

  摘要：

  We describe the structure-based design and synthesis of highly potent, orally bioavailable tissue factor/factor Vila inhibitors which interfere with the coagulation cascade by selective inhibition of the extrinsic pathway. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.079
• 作为产物：
  描述：

  3,5-二羟基苯甲醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (3-benzyloxy-5-ethoxy-phenyl)-methanol
  参考文献：
  名称：

  Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors

  摘要：

  We describe the structure-based design and synthesis of highly potent, orally bioavailable tissue factor/factor Vila inhibitors which interfere with the coagulation cascade by selective inhibition of the extrinsic pathway. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.079

文献信息

• [EN] 1,2-AZOLE DERIVATIVES WITH HYPOGLYSEMIC AND HYPOLIPIDEMIC ACTIVITY<br/>[FR] DERIVES 1,2-AZOLE PRESENTANT UNE ACTIVITE HYPOGLYCEMIQUE ET HYPOLIPIDEMIQUE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2003099793A1

  公开（公告）日：2003-12-04

  A compound represented by the formula (1) wherein ring A is a ring optionally having 1 to 3 substituents; ring B is a 1,2-azole ring which may further have 1 to 3 substituents; Xa, Xb and Xc are the same or different and each is a bond, - O -, - S - and the like; Ya is a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; Yb and Yc are the same or different and each is a bond or a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; ring C is a monocyclic aromatic ring which may further have 1 to 3 substituents; and R represents -OR4 (R4 is hydrogen atom or optionally substituted hydrocarbon group) and the like, or a salt thereof or a prodrug thereof is useful as an agent for the prophylaxis or treatment of diabetes and the like.

  化合物的结构式（1），其中环A是一个环，可选地具有1到3个取代基；环B是一个1,2-唑环，可能进一步具有1到3个取代基；Xa、Xb和Xc相同或不同，每个都是键，-O-，-S-等；Ya是一个具有1到20个碳原子的二价脂肪烃残基；Yb和Yc相同或不同，每个是键或具有1到20个碳原子的二价脂肪烃残基；环C是一个可能进一步具有1到3个取代基的单环芳香环；R代表-OR4（R4是氢原子或可选择地取代的碳氢基团）等，或其盐或前药，可用作糖尿病的预防或治疗剂等。
• 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1513817A1

  公开（公告）日：2005-03-16
• Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors
  作者：Katrin Groebke Zbinden、Ulrike Obst-Sander、Kurt Hilpert、Holger Kühne、David W. Banner、Hans-Joachim Böhm、Martin Stahl、Jean Ackermann、Leo Alig、Lutz Weber、Hans Peter Wessel、Markus A. Riederer、Thomas B. Tschopp、Thierry Lavé

  DOI：10.1016/j.bmcl.2005.04.079

  日期：2005.12

  We describe the structure-based design and synthesis of highly potent, orally bioavailable tissue factor/factor Vila inhibitors which interfere with the coagulation cascade by selective inhibition of the extrinsic pathway. (c) 2005 Elsevier Ltd. All rights reserved.
• Dose-dependent antithrombotic activity of an orally active tissue factor/factor VIIa inhibitor without concomitant enhancement of bleeding propensity
  作者：Katrin Groebke Zbinden、David W. Banner、Kurt Hilpert、Jacques Himber、Thierry Lavé、Markus A. Riederer、Martin Stahl、Thomas B. Tschopp、Ulrike Obst-Sander

  DOI：10.1016/j.bmc.2006.03.042

  日期：2006.8

  The discovery of a highly potent and selective tissue factor/factor VIIa inhibitor is described. Upon oral administration of its double prodrug in the guinea pig, a dose-dependent antithrombotic effect is observed in an established model of arterial thrombosis without prolonging bleeding time. The pharmacodynamic properties of this selective inhibitor are compared to the behaviour of a mixed factor VIIa/factor Xa inhibitor. (c) 2006 Elsevier Ltd. All rights reserved.