1-(5-溴-2-吡啶)-1H-吡唑-4-羧酸乙酯 | 915394-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-(5-溴-2-吡啶)-1H-吡唑-4-羧酸乙酯
• 英文名称: ethyl 1-(5-bromopyridin-2-yl)pyrazole-4-carboxylate
• 英文别名: 1-(5-Bromo-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester；Ethyl 1-(5-bromopyridin-2-yl)-1H-pyrazole-4-carboxylate
• CAS: 915394-68-2
• 化学式: C₁₁H₁₀BrN₃O₂
• 分子量: 296.123
• InChiKey: HNVHJAHARXFVRR-UHFFFAOYSA-N

物化性质

• 沸点：
  382.4±32.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(5-溴-2-吡啶)-1H-吡唑-4-羧酸乙酯 在 水 、 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 lithium hydroxide 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 4.0h， 生成 1-(5-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
  参考文献：
  名称：

  INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF

  摘要：

  Provided are compounds of the Formula (I); or pharmaceutically acceptable salts thereof, which are useful for the inhibition of DHX9 and in the treatment of a variety of DHX9 mediated conditions or diseases, such as cancer.

  公开号：

  WO2023154519A1
• 作为产物：
  描述：

  5-溴-2-氯吡啶 、 4-吡唑甲酸乙酯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以75%的产率得到1-(5-溴-2-吡啶)-1H-吡唑-4-羧酸乙酯
  参考文献：
  名称：

  Design and synthesis of substituted pyridine derivatives as HIF-1α prolyl hydroxylase inhibitors

  摘要：

  Structure-guided de novo drug design led to the identification of a novel series of substituted pyridine derivatives as HIF-1 alpha prolyl hydroxylase inhibitors. Pyridine carboxyamide derivatives bearing a substituted aryl group at the 5-position of the pyridine ring show appreciable activity, while constraining the side chain by placing a pyrazole carboxylic acid generated a potent lead series with consistent activity against EGLN-1. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.026

文献信息

• Design and synthesis of substituted pyridine derivatives as HIF-1α prolyl hydroxylase inhibitors
  作者：Namal C. Warshakoon、Shengde Wu、Angelique Boyer、Richard Kawamoto、Justin Sheville、Ritu Tiku Bhatt、Sean Renock、Kevin Xu、Matthew Pokross、Songtao Zhou、Richard Walter、Marlene Mekel、Artem G. Evdokimov、Stephen East

  DOI：10.1016/j.bmcl.2006.08.026

  日期：2006.11

  Structure-guided de novo drug design led to the identification of a novel series of substituted pyridine derivatives as HIF-1 alpha prolyl hydroxylase inhibitors. Pyridine carboxyamide derivatives bearing a substituted aryl group at the 5-position of the pyridine ring show appreciable activity, while constraining the side chain by placing a pyrazole carboxylic acid generated a potent lead series with consistent activity against EGLN-1. (c) 2006 Elsevier Ltd. All rights reserved.
• INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF
  申请人：[en]ACCENT THERAPEUTICS, INC.

  公开号：WO2023154519A1

  公开（公告）日：2023-08-17

  Provided are compounds of the Formula (I); or pharmaceutically acceptable salts thereof, which are useful for the inhibition of DHX9 and in the treatment of a variety of DHX9 mediated conditions or diseases, such as cancer.