5-Propoxysalicylsaeuremethylester | 16512-28-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-Propoxysalicylsaeuremethylester
• 英文别名: methyl 2-hydroxy-5-propoxybenzoate
• CAS: 16512-28-0
• 化学式: C₁₁H₁₄O₄
• 分子量: 210.23
• InChiKey: AOYNKADOZLXKIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Propoxysalicylsaeuremethylester 在 镍 氢气 、 caesium carbonate 、 三乙胺 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-methyl-3-phenyl-propylamino)-pyridin-2-yloxy]-5-propoxy-benzoic acid methyl ester
  参考文献：
  名称：

  The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex

  摘要：

  The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in the formation of blood clots. Inhibition of this complex may lead to new antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that incorporation of substitution at the 5-position of the hydroxybenzoic acid side chain could lead to the formation of more potent inhibitors through interactions with the S1'/S2' pocket.

  DOI：

  10.1016/j.bmcl.2005.07.059
• 作为产物：
  描述：

  2,5-二羟基苯甲酸甲酯 、 alkaline earth salt of/the/ methylsulfuric acid 生成 5-Propoxysalicylsaeuremethylester
  参考文献：
  名称：

  The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex

  摘要：

  The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in the formation of blood clots. Inhibition of this complex may lead to new antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that incorporation of substitution at the 5-position of the hydroxybenzoic acid side chain could lead to the formation of more potent inhibitors through interactions with the S1'/S2' pocket.

  DOI：

  10.1016/j.bmcl.2005.07.059

文献信息

• N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF
  申请人：Yokotani Junichi

  公开号：US20110275797A1

  公开（公告）日：2011-11-10

  An N-acyl anthranilic acid derivative represented by general formula (1) or a salt thereof is useful for prevention or treatment of diseases associated with excessive production of collagen. (In the formula, R 1 represents a carboxyl group or the like; R 2 represents a hydrogen atom or the like; R 3 represents an optionally substituted aryl group or the like; X 1 represents a carbonyl group; X 2 represents a bonding hand; X 3 represents a bonding hand; X 4 represents a bonding hand or the like; and A represents an optionally substituted phenyl group or the like.)

  通用公式（1）表示的N-酰基蒽酸衍生物或其盐对预防或治疗与胶原蛋白过度产生相关的疾病具有用处。（在该公式中，R1代表羧基或类似物；R2代表氢原子或类似物；R3代表可选择取代的芳基或类似物；X1代表羰基；X2代表连接手；X3代表连接手；X4代表连接手或类似物；A代表可选择取代的苯基或类似物。）
• N-acyl anthranilic acid derivative or salt thereof
  申请人：Yokotani Junichi

  公开号：US08492582B2

  公开（公告）日：2013-07-23

  The invention relates to an N-acyl anthranilic acid derivative or it's salt having collagen production inhibitory action.

  本发明涉及一种具有胶原蛋白生成抑制作用的N-酰基蒽酰氨酸衍生物或其盐。
• EP2385036
  申请人：——

  公开号：——

  公开（公告）日：——
• US8492582B2
  申请人：——

  公开号：US8492582B2

  公开（公告）日：2013-07-23
• The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex
  作者：Jeffrey T. Kohrt、Kevin J. Filipski、Wayne L. Cody、Cuiman Cai、Danette A. Dudley、Chad A. Van Huis、J. Adam Willardsen、Stephen T. Rapundalo、Kamlai Saiya-Cork、Robert J. Leadley、Lakshmi Narasimhan、Erli Zhang、Marc Whitlow、Marc Adler、Kirk McLean、Yuo-Ling Chou、Cecile McKnight、Damian O. Arnaiz、Kenneth J. Shaw、David R. Light、Jeremy J. Edmunds

  DOI：10.1016/j.bmcl.2005.07.059

  日期：2005.11

  The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in the formation of blood clots. Inhibition of this complex may lead to new antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that incorporation of substitution at the 5-position of the hydroxybenzoic acid side chain could lead to the formation of more potent inhibitors through interactions with the S1'/S2' pocket.