4-(2-(吡啶-2-基)-5,6-二氢-4H-吡咯并[1,2-b]吡唑-3-基)喹啉-7-醇 | 476474-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-(2-(吡啶-2-基)-5,6-二氢-4H-吡咯并[1,2-b]吡唑-3-基)喹啉-7-醇
• 英文名称: 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol
• 英文别名: 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b] pyrazol-3-yl)-quinolin-7-ol；4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol
• CAS: 476474-11-0
• 化学式: C₂₀H₁₆N₄O
• 分子量: 328.373
• InChiKey: ZDNICFYNWASODE-UHFFFAOYSA-N

物化性质

• 沸点：
  557.3±50.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  -20°C，密闭保存，置于干燥处

制备方法与用途

TGF-β受体抑制剂

反应信息

• 作为反应物：
  描述：

  4-(2-(吡啶-2-基)-5,6-二氢-4H-吡咯并[1,2-b]吡唑-3-基)喹啉-7-醇 、 1-溴-2-氯乙烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以46%的产率得到Dihydropyrrolopyrazole, 15
  参考文献：
  名称：

  Optimization of a Dihydropyrrolopyrazole Series of Transforming Growth Factor-β Type I Receptor Kinase Domain Inhibitors: Discovery of an Orally Bioavailable Transforming Growth Factor-β Receptor Type I Inhibitor as Antitumor Agent

  摘要：

  In our continuing effort to expand the SAR of the quinoline domain of dihydropyrrolopyrazole series, we have discovered compound 15d, which demonstrated the antitumor efficacy with oral bioavailability. This effort also demonstrated that the PK/PD in vivo target inhibition paradigm is an effective approach to assess potential for antitumor efficacy. The dihydropyrrolopyrazole inhibitor 15d (LY2109761) is representative of a novel series of antitumor agents.

  DOI：

  10.1021/jm701199p
• 作为产物：
  描述：

  7-甲氧基-4-(2-(吡啶-2-基)-5,6-二氢-4H-吡咯并[1,2-b]吡唑-3-基)喹啉 在 氢溴酸 作用下， 反应 24.0h， 生成 4-(2-(吡啶-2-基)-5,6-二氢-4H-吡咯并[1,2-b]吡唑-3-基)喹啉-7-醇
  参考文献：
  名称：

  Optimization of a Dihydropyrrolopyrazole Series of Transforming Growth Factor-β Type I Receptor Kinase Domain Inhibitors: Discovery of an Orally Bioavailable Transforming Growth Factor-β Receptor Type I Inhibitor as Antitumor Agent

  摘要：

  In our continuing effort to expand the SAR of the quinoline domain of dihydropyrrolopyrazole series, we have discovered compound 15d, which demonstrated the antitumor efficacy with oral bioavailability. This effort also demonstrated that the PK/PD in vivo target inhibition paradigm is an effective approach to assess potential for antitumor efficacy. The dihydropyrrolopyrazole inhibitor 15d (LY2109761) is representative of a novel series of antitumor agents.

  DOI：

  10.1021/jm701199p

文献信息

• ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES
  申请人：Synthis, LLC

  公开号：US20200147234A1

  公开（公告）日：2020-05-14

  The present disclosure relates to antibody-drug conjugates comprising ALK5 inhibitors and their uses.

  本公开涉及包含ALK5抑制剂的抗体药物偶联物及其用途。
• [EN] QUINOLINYL-PYRROLOPYRAZOLES<br/>[FR] QUINOLINYLE-PYRROLOPYRAZOLES
  申请人：LILLY CO ELI

  公开号：WO2004048382A1

  公开（公告）日：2004-06-10

  A compound according to formula II and the pharmaceutically acceptable salts thereof and the method of treating cancer in a patient in need thereof by administration of said compound.

  根据公式II的化合物及其药用盐，以及通过给患有癌症的患者施用该化合物来治疗癌症的方法。
• Quinolinyl-pyrrolopyrazoles
  申请人：Beight Wade Douglas

  公开号：US20060040983A1

  公开（公告）日：2006-02-23

  A compound according to formula II and the pharmaceutically acceptable salts thereof and the method of treating cancer in a patient in need thereof by administration of said compound.

  根据公式II及其药学上可接受的盐，以及通过给予该化合物治疗患癌症患者的方法，该化合物的治疗方法。
• [EN] NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS<br/>[FR] DERIVES DE PYRROLE UTILISES COMME AGENTS PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2002094833A1

  公开（公告）日：2002-11-28

  Novel pyrrazole derivative compounds and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors. The disclosed invention relates to compounds of the structure (I) wherein (I) is a four, five, or six membered saturated ring and X is C, O or S.

  小说吡唑衍生物化合物及其作为药物制剂的用途，特别是作为TGF-beta信号传导抑制剂的用途。所披露的发明涉及结构为（I）的化合物，其中（I）是四、五或六元饱和环，X为C，O或S。
• Novel pyrrole derivatives as pharmaceutical agents
  申请人：——

  公开号：US20040106604A1

  公开（公告）日：2004-06-03

  Novel pyrrazole derivative compounds and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors. The disclosed invention relates to compounds of the structure (I) wherein (I) is a four, five, or six membered saturated ring and X is C, O or S. 1

  小说吡唑衍生物化合物及其作为药物代理的使用，特别是其作为TGF-beta信号转导抑制剂的使用。所公开的发明涉及结构（I）的化合物，其中（I）是四、五或六个成员的饱和环，X是C、O或S。1