phenyl (2-(benzo[d][1,3]dioxole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-inden-4-yl)carbamate | 1009320-69-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: phenyl (2-(benzo[d][1,3]dioxole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-inden-4-yl)carbamate
• CAS: 1009320-69-7
• 化学式: C₂₄H₁₅NO₇
• 分子量: 429.386
• InChiKey: NXNOILGZSCVPIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  108.0
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  phenyl (2-(benzo[d][1,3]dioxole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-inden-4-yl)carbamate 、 对氨基苯酚 在 4-二甲氨基吡啶 作用下， 以 二甲基亚砜 为溶剂， 生成 1-(2-(benzo[d][1,3]dioxole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-inden-4-yl)-3-(4-hydroxyphenyl)urea
  参考文献：
  名称：

  Discovery of indenopyrazoles as EGFR and VEGFR-2 tyrosine kinase inhibitors by in silico high-throughput screening

  摘要：

  A series of indenopyrazoles 8 and 9 were designed and synthesized as EGFR tyrosine kinase inhibitors by in silico high-throughput screening. Compounds 8b and 8d showed significant inhibition of A431 cell growth (GI(50) = 0.062 and 0.057 mu M, respectively). Compounds 8b and 9a showed inhibitory activity toward both EGFR and VEGFR-2 (KDR) tyrosine kinases, whereas 8d inhibited VEGFR-2 tyrosine kinase, exclusively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.084
• 作为产物：
  描述：

  4-amino-2-(benzo[d][1,3]dioxole-5-carbonyl)-1H-indene-1,3(2H)-dione 、 氯甲酸苯酯 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 生成 phenyl (2-(benzo[d][1,3]dioxole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-inden-4-yl)carbamate
  参考文献：
  名称：

  Discovery of indenopyrazoles as EGFR and VEGFR-2 tyrosine kinase inhibitors by in silico high-throughput screening

  摘要：

  A series of indenopyrazoles 8 and 9 were designed and synthesized as EGFR tyrosine kinase inhibitors by in silico high-throughput screening. Compounds 8b and 8d showed significant inhibition of A431 cell growth (GI(50) = 0.062 and 0.057 mu M, respectively). Compounds 8b and 9a showed inhibitory activity toward both EGFR and VEGFR-2 (KDR) tyrosine kinases, whereas 8d inhibited VEGFR-2 tyrosine kinase, exclusively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.084