5-phenoxy-1H-indazole-3-carbaldehyde | 882803-34-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-phenoxy-1H-indazole-3-carbaldehyde
• 英文别名: 5-phenoxy-2H-indazole-3-carbaldehyde
• CAS: 882803-34-1
• 化学式: C₁₄H₁₀N₂O₂
• 分子量: 238.246
• InChiKey: BIQHBZCNKXMBIS-UHFFFAOYSA-N

物化性质

• 沸点：
  458.1±25.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-(piperidin-1-yl)piperidin-1-yl)benzene-1,2-diamine 、 5-phenoxy-1H-indazole-3-carbaldehyde 在 air 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 3-(6-(1,4'-bipiperidin-1'-yl)-1H-benzo[d]imidazol-2-yl)-5-phenoxy-1H-indazole
  参考文献：
  名称：

  Design and structure–activity relationship of 3-benzimidazol-2-yl-1H-indazoles as inhibitors of receptor tyrosine kinases

  摘要：

  -3-Benzimidazol-2-yl-1H-indazole analogs were developed as inhibitors of receptor tyrosine kinases (RTK). The synthesis and SAR of this series is reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.069
• 作为产物：
  描述：

  5-苯氧基-1H-吲哚 在 盐酸 、 sodium nitrite 作用下， 以 1,4-二氧六环 为溶剂， 以25%的产率得到5-phenoxy-1H-indazole-3-carbaldehyde
  参考文献：
  名称：

  3-Benzimidazol-2-yl-1H-indazoles as potent c-ABL inhibitors

  摘要：

  The 3-benzimidazol-2-yl-1H-indazole scaffold was developed as an alternate scaffold for our receptor tyrosine kinase (RTK) inhibitor program. In exploring the SAR of this series, it was discovered that a subset of these compounds potently inhibit the enzyme c-ABL. The SAR of these compounds is described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.043

文献信息

• Design and structure–activity relationship of 3-benzimidazol-2-yl-1H-indazoles as inhibitors of receptor tyrosine kinases
  作者：Christopher M. McBride、Paul A. Renhowe、Carla Heise、Johanna M. Jansen、Gena Lapointe、Sylvia Ma、Ramon Piñeda、Jayesh Vora、Marion Wiesmann、Cynthia M. Shafer

  DOI：10.1016/j.bmcl.2006.03.069

  日期：2006.7

  -3-Benzimidazol-2-yl-1H-indazole analogs were developed as inhibitors of receptor tyrosine kinases (RTK). The synthesis and SAR of this series is reported. (c) 2006 Elsevier Ltd. All rights reserved.
• US7642278B2
  申请人：——

  公开号：US7642278B2

  公开（公告）日：2010-01-05
• 3-Benzimidazol-2-yl-1H-indazoles as potent c-ABL inhibitors
  作者：Christopher M. McBride、Paul A. Renhowe、Thomas G. Gesner、Johanna M. Jansen、Julie Lin、Sylvia Ma、Yasheen Zhou、Cynthia M. Shafer

  DOI：10.1016/j.bmcl.2006.04.043

  日期：2006.7

  The 3-benzimidazol-2-yl-1H-indazole scaffold was developed as an alternate scaffold for our receptor tyrosine kinase (RTK) inhibitor program. In exploring the SAR of this series, it was discovered that a subset of these compounds potently inhibit the enzyme c-ABL. The SAR of these compounds is described. (c) 2006 Elsevier Ltd. All rights reserved.