5-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine | 370879-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: 5-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
• CAS: 370879-47-3
• 化学式: C₂₅H₃₃FN₈OSi
• 分子量: 508.674
• InChiKey: YOYGLNKOGIOBJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2-({4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}amino)ethanol
  参考文献：
  名称：

  Metabolites of Orally Active NO-Independent Pyrazolopyridine Stimulators of Soluble Guanylate Cyclase

  摘要：

  The pyrazolopyridine stimulators of soluble guanylate cyclase BAY 41-2272 and 41-8543 were oxidised in rats and dogs at their 5-pyrimidinyl-cyclopropyl and -morpholino residue. These metabolites activate the soluble guanylate cyclase, induce vaso-elaxation and thereby may contribute to the in vivo activity of BAY 41-2272 and BAY 41-8543. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00034-2
• 作为产物：
  描述：

  1-(2-氟苄基)-1H-吡唑并[3,4-b]吡啶-3-甲腈 在 镍 3 A molecular sieve 、 氢气 、 sodium methylate 、 sodium cyanoborohydride 、 氯化铵 、 溶剂黄146 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~110.0 ℃ 、6.5 MPa 条件下， 反应 49.0h， 生成 5-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
  参考文献：
  名称：

  Metabolites of Orally Active NO-Independent Pyrazolopyridine Stimulators of Soluble Guanylate Cyclase

  摘要：

  The pyrazolopyridine stimulators of soluble guanylate cyclase BAY 41-2272 and 41-8543 were oxidised in rats and dogs at their 5-pyrimidinyl-cyclopropyl and -morpholino residue. These metabolites activate the soluble guanylate cyclase, induce vaso-elaxation and thereby may contribute to the in vivo activity of BAY 41-2272 and BAY 41-8543. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00034-2

文献信息

• Metabolites of Orally Active NO-Independent Pyrazolopyridine Stimulators of Soluble Guanylate Cyclase
  作者：A Straub

  DOI：10.1016/s0968-0896(02)00034-2

  日期：2002.6

  The pyrazolopyridine stimulators of soluble guanylate cyclase BAY 41-2272 and 41-8543 were oxidised in rats and dogs at their 5-pyrimidinyl-cyclopropyl and -morpholino residue. These metabolites activate the soluble guanylate cyclase, induce vaso-elaxation and thereby may contribute to the in vivo activity of BAY 41-2272 and BAY 41-8543. (C) 2002 Elsevier Science Ltd. All rights reserved.