4'-[3-Cyano-1-(4-methoxy-phenyl)-7-oxo-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl]-biphenyl-2-sulfonic acid amide | 280117-16-0

• 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: 4'-[3-Cyano-1-(4-methoxy-phenyl)-7-oxo-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl]-biphenyl-2-sulfonic acid amide
• 英文别名: 2-{4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-6-yl]phenyl}benzene-1-sulfonamide；2-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxopyrazolo[4,3-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
• CAS: 280117-16-0
• 化学式: C₂₅H₁₈N₆O₄S
• 分子量: 498.522
• InChiKey: PZLTVVGYKMLOSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  152
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4'-[3-Cyano-1-(4-methoxy-phenyl)-7-oxo-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl]-biphenyl-2-sulfonic acid amide 在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 以50%的产率得到4'-[3-Aminomethyl-1-(4-methoxy-phenyl)-7-oxo-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl]-biphenyl-2-sulfonic acid amide
  参考文献：
  名称：

  Preparation of 1-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective and bioavailable inhibitors of coagulation factor Xa

  摘要：

  Previously, potent factor Xa inhibitors were described based on a pyrazole core. Modifications of the pyrazole core have provided additional novel, highly potent factor Xa inhibitors. This manuscript will describe the synthesis and biological activity of factor Xa inhibitors containing the 1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one and related bicyclic cores. Many of these compounds are potent, selective, and orally bioavailable inhibitors of coagulation factor Xa. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.044
• 作为产物：
  描述：

  1-[4-methoxyphenyl]-3-cyano-4-azido-5-[4-bromophenylaminocarbonyl]pyrazole 在 ammonium hydroxide 、 四(三苯基膦)钯 、 sodium carbonate 、 三氟乙酸 、 tin(ll) chloride 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 苯 为溶剂， 反应 2.0h， 生成 4'-[3-Cyano-1-(4-methoxy-phenyl)-7-oxo-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl]-biphenyl-2-sulfonic acid amide
  参考文献：
  名称：

  Preparation of 1-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective and bioavailable inhibitors of coagulation factor Xa

  摘要：

  Previously, potent factor Xa inhibitors were described based on a pyrazole core. Modifications of the pyrazole core have provided additional novel, highly potent factor Xa inhibitors. This manuscript will describe the synthesis and biological activity of factor Xa inhibitors containing the 1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one and related bicyclic cores. Many of these compounds are potent, selective, and orally bioavailable inhibitors of coagulation factor Xa. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.044

文献信息

• Preparation of 1-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective and bioavailable inhibitors of coagulation factor Xa
  作者：John M. Fevig、Joseph Cacciola、Joseph Buriak、Karen A. Rossi、Robert M. Knabb、Joseph M. Luettgen、Pancras C. Wong、Stephen A. Bai、Ruth R. Wexler、Patrick Y.S. Lam

  DOI：10.1016/j.bmcl.2006.04.044

  日期：2006.7

  Previously, potent factor Xa inhibitors were described based on a pyrazole core. Modifications of the pyrazole core have provided additional novel, highly potent factor Xa inhibitors. This manuscript will describe the synthesis and biological activity of factor Xa inhibitors containing the 1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one and related bicyclic cores. Many of these compounds are potent, selective, and orally bioavailable inhibitors of coagulation factor Xa. (c) 2006 Elsevier Ltd. All rights reserved.