1-(3-Amino-1,2-benzoxazol-5-yl)-6-[4-[2-(hydroxymethyl)phenyl]phenyl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one | 913176-62-2

• 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: 1-(3-Amino-1,2-benzoxazol-5-yl)-6-[4-[2-(hydroxymethyl)phenyl]phenyl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
• CAS: 913176-62-2
• 化学式: C₂₆H₂₀N₆O₃
• 分子量: 464.483
• InChiKey: ILYTZBDVJIYSRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(3-Amino-1,2-benzoxazol-5-yl)-6-[4-[2-(hydroxymethyl)phenyl]phenyl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 4'-[1-(3-amino-benzo[d]isoxazol-5-yl)-3-methyl-7-oxo-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl]-biphenyl-2-carbaldehyde
  参考文献：
  名称：

  Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa

  摘要：

  Previously, potent factor Xa inhibitors were described based on the 1H-pyrazolo[4,3-alpyrimidin-7(6H)-one bicyclic core and a 4-methoxyphenyl P1 moiety. This manuscript describes 1H-pyrazolo[4,3-dlpyrimidin-7(6H)-one and related bicyclic cores with the 3-aminobenzisoxazole P1 moiety. Many of these compounds are potent, selective, and efficacious inhibitors of coagulation factor Xa. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.002
• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 乙酰氧肟酸 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(3-Amino-1,2-benzoxazol-5-yl)-6-[4-[2-(hydroxymethyl)phenyl]phenyl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
  参考文献：
  名称：

  Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa

  摘要：

  Previously, potent factor Xa inhibitors were described based on the 1H-pyrazolo[4,3-alpyrimidin-7(6H)-one bicyclic core and a 4-methoxyphenyl P1 moiety. This manuscript describes 1H-pyrazolo[4,3-dlpyrimidin-7(6H)-one and related bicyclic cores with the 3-aminobenzisoxazole P1 moiety. Many of these compounds are potent, selective, and efficacious inhibitors of coagulation factor Xa. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.002

文献信息

• Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa
  作者：Yun-Long Li、John M. Fevig、Joseph Cacciola、Joseph Buriak、Karen A. Rossi、Janan Jona、Robert M. Knabb、Joseph M. Luettgen、Pancras C. Wong、Stephen A. Bai、Ruth R. Wexler、Patrick Y.S. Lam

  DOI：10.1016/j.bmcl.2006.07.002

  日期：2006.10

  Previously, potent factor Xa inhibitors were described based on the 1H-pyrazolo[4,3-alpyrimidin-7(6H)-one bicyclic core and a 4-methoxyphenyl P1 moiety. This manuscript describes 1H-pyrazolo[4,3-dlpyrimidin-7(6H)-one and related bicyclic cores with the 3-aminobenzisoxazole P1 moiety. Many of these compounds are potent, selective, and efficacious inhibitors of coagulation factor Xa. (c) 2006 Elsevier Ltd. All rights reserved.