3-(tert-butyl-dimethyl silanyloxy)-5-ethoxy-2-fluoro-benzaldehyde | 577793-68-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(tert-butyl-dimethyl silanyloxy)-5-ethoxy-2-fluoro-benzaldehyde
• 英文别名: 3-(tert-butyldimethylsilyloxy)-5-ethoxy-2-fluorobenzaldehyde；3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-2-fluorobenzaldehyde
• CAS: 577793-68-1
• 化学式: C₁₅H₂₃FO₃Si
• 分子量: 298.43
• InChiKey: ONRBABAKNIFQAU-UHFFFAOYSA-N

物化性质

• 沸点：
  341.2±42.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.42
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(tert-butyl-dimethyl silanyloxy)-5-ethoxy-2-fluoro-benzaldehyde 在 盐酸 、 lithium hydroxide 、 三氟化硼乙醚 、 水 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 氯仿 为溶剂， 反应 11.25h， 生成 2-[(4-Carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoro-3-(oxolan-3-yloxy)phenyl]acetic acid
  参考文献：
  名称：

  Dose-dependent antithrombotic activity of an orally active tissue factor/factor VIIa inhibitor without concomitant enhancement of bleeding propensity

  摘要：

  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.

  DOI：

  10.1016/j.bmc.2006.03.042
• 作为产物：
  描述：

  4-氟苯乙醚 在 咪唑 、 正丁基锂 、 五甲基二乙烯三胺 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 3-(tert-butyl-dimethyl silanyloxy)-5-ethoxy-2-fluoro-benzaldehyde
  参考文献：
  名称：

  Dose-dependent antithrombotic activity of an orally active tissue factor/factor VIIa inhibitor without concomitant enhancement of bleeding propensity

  摘要：

  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.

  DOI：

  10.1016/j.bmc.2006.03.042

文献信息

• Heterocyclic compounds as inhibitors of factor VIIa
  申请人：Glunz W. Peter

  公开号：US20060211720A1

  公开（公告）日：2006-09-21

  The present invention relates generally to compounds that inhibit serine proteases. In particular it is directed to novel heterocyclic compounds, or a stereoisomer or pharmaceutically acceptable salt, solvate, or prodrug form thereof, which are useful as selective inhibitors of serine protease enzymes of the coagulation cascade; for example thrombin, factor VIIa, factor Xa, factor XIa, factor IXa, and/or plasma kallikrein. In particular, it relates to compounds that are factor VIIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.

  本发明一般涉及抑制丝氨酸蛋白酶的化合物。具体而言，它涉及新颖的杂环化合物，或其立体异构体或药用可接受的盐、溶剂合物或前药形式，这些化合物可用作凝血级联中丝氨酸蛋白酶的选择性抑制剂；例如凝血酶、第VIIa因子、第Xa因子、第XIa因子、第IXa因子和/或血浆激肽。具体而言，它涉及第VIIa因子抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用它们的方法。
• N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES
  申请人：——

  公开号：US20030166683A1

  公开（公告）日：2003-09-04

  The invention is concerned with water soluble N—(4-carbamimidoyl-phenyl)-glycine derivatives of formula (I) 1 wherein R 1 to R 4 and n are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit the formation of coagulation factors Xa, IXa and thrombin induced by factor VIIa and tissue factor and can be used as medicaments.

  本发明涉及水溶性的公式(I)1中的N-(4-氨基甲酰基苯基)甘氨酸衍生物，其中R1至R4和n如说明和权利要求中所定义，以及其生理上可接受的盐。这些化合物能抑制由因子VIIa和组织因子诱导的凝血因子Xa、IXa和凝血酶的形成，可用作药物。
• N-(4-carbamimidoyl-phenyl)-glycine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US06642386B2

  公开（公告）日：2003-11-04

  The invention is concerned with water soluble N-(4-carbamimidoyl-phenyl)-glycine derivatives of formula (I) wherein R1 to R4 and n are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit the formation of coagulation factors Xa, IXa and thrombin induced by factor VIIa and tissue factor and can be used as medicaments.

  本发明涉及水溶性的N-(4-氨基甲酰基苯基)-甘氨酸衍生物，其化学式为(I)，其中R1至R4和n的定义如说明书和权利要求所述，以及其生理上可接受的盐。这些化合物抑制因子VIIa和组织因子诱导的凝血因子Xa、IXa和凝血酶的形成，可用作药物。
• 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.