6-bromo-3-(isopropylamino)pyrazin-2-ol | 510771-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-bromo-3-(isopropylamino)pyrazin-2-ol
• 英文别名: 5-Bromo-2-(N-isopropylamino)-3-hydroxypyrazine；6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one
• CAS: 510771-53-6
• 化学式: C₇H₁₀BrN₃O
• 分子量: 232.08
• InChiKey: NDUVZXAXDRQDFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-bromo-3-(isopropylamino)pyrazin-2-ol 、 N,N'-羰基二咪唑 以91%的产率得到6-bromo-3-isopropyl[1,3]oxazolo[4,5-b]pyrazin-2(3H)-one
  参考文献：
  名称：

  Synthesis of a versatile 2 (1H)-pyrazinone core for the preparation of Tissue Factor-Factor VIIa inhibitors

  摘要：

  A new, general synthetic route to 2(1H)-pyrazinones 11 is described The four-step synthesis is accomplished utilizing a regioselective hydrolysis and N-alkylation These compounds efficiently undergo metal-catalyzed cross-coupling reactions to install P2 diversity groups in the 6-position, which can be used to refine the SAR of the S2 pocket of the Tissue Factor/Factor VIIa (TF/VIIa) complex (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.02.026
• 作为产物：
  描述：

  3,5-dibromo-N-isopropylpyrazin-2-amine 在 水 、 potassium hydroxide 作用下， 反应 20.0h， 以87%的产率得到6-bromo-3-(isopropylamino)pyrazin-2-ol
  参考文献：
  名称：

  Synthesis of a versatile 2 (1H)-pyrazinone core for the preparation of Tissue Factor-Factor VIIa inhibitors

  摘要：

  A new, general synthetic route to 2(1H)-pyrazinones 11 is described The four-step synthesis is accomplished utilizing a regioselective hydrolysis and N-alkylation These compounds efficiently undergo metal-catalyzed cross-coupling reactions to install P2 diversity groups in the 6-position, which can be used to refine the SAR of the S2 pocket of the Tissue Factor/Factor VIIa (TF/VIIa) complex (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.02.026

文献信息

• Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade
  申请人：Pharmacia Corporation

  公开号：US20040082585A1

  公开（公告）日：2004-04-29

  The present invention relates to prodrug compounds, compositions and methods useful for preventing and treating thrombotic conditions in mammals. The prodrug compounds of the present invention selectively inhibit certain proteases of the coagulation cascade.

  本发明涉及一种用于预防和治疗哺乳动物血栓性疾病的前药化合物、组合物和方法。本发明的前药化合物选择性地抑制凝血级联反应中的某些蛋白酶。
• 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE
  申请人：Pharmacia Corporation

  公开号：EP1448534A1

  公开（公告）日：2004-08-25
• PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE
  申请人：Pharmacia Corporation

  公开号：EP1482940A2

  公开（公告）日：2004-12-08
• [EN] PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE<br/>[FR] PROMEDICAMENTS DE COMPOSES POLYCYCLIQUES SUBSTITUES UTILES POUR L'INHIBITION SELECTIVE DE LA CASCADE DE LA COAGULATION
  申请人：PHARMACIA CORP

  公开号：WO2003028729A2

  公开（公告）日：2003-04-10

  The present invention relates to prodrug compounds, comprising a 5- or 6- membered heterocyclic or aromatic ring substituted with a derivatized amidine, as well as compositions and methods useful for preventing and treating thrombotic conditions in mammals. The prodrug compounds of the present invention selectively inhibit certain proteases of the coagulation cascade.
• [EN] 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE<br/>[FR] COMPOSES HETEROCYCLIQUES INSATURES A 6 CHAINONS UTILES POUR L'INHIBITION SELECTIVE DE REACTIONS EN CASCADE DE LA COAGULATION
  申请人：PHARMACIA CORP

  公开号：WO2003029224A1

  公开（公告）日：2003-04-10

  The present invention relates to compounds, and prodrugs thereof, composition and methods useful for preventing and treating thrombotic conditions in mammals. The compounds of the present invention, and prodrugs thereof, selectively inhibit certain proteases of the coagulation cascade.