1-Chlor-1-nitro-propen-(1) | 65514-05-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-Chlor-1-nitro-propen-(1)
• 英文别名: 1-chloro-1-nitro-propene；α-Chlor-α-nitro-propylen；1-Chlor-1-nitro-propen；1-Chloro-1-nitroprop-1-ene；1-chloro-1-nitroprop-1-ene
• CAS: 65514-05-8
• 化学式: C₃H₄ClNO₂
• 分子量: 121.523
• InChiKey: SRSKPQQFRAZCJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Chlor-1-nitro-propen-(1) 、 4,6-二羟基嘧啶 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 为溶剂， 生成 5-Methylfuro[2,3-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  Discovery of novel c-Met kinase inhibitors bearing a thieno[2,3-d]pyrimidine or furo[2,3-d]pyrimidine scaffold

  摘要：

  A series of thieno[2,3-d]pyrimidines and furo[2,3-d] pyrimidines were synthesized and evaluated for the c-Met inhibition. Thieno[2,3-d]pyrimidine 6b stood out as the most potent showing an IC(50) of 35.7 nM. This compound displayed high inhibitory effect on cell proliferation in BaF3-TPR-Met cells and showed high selectivity for c-Met family against other 14 tested kinases. However, compound 6b was found ineffective in the c-Met-dependent U-87MG human gliobastoma xenograft model that may be relevant to its poor PK profile. (C) 2011 Elsevier Ltd. All rights

  DOI：

  10.1016/j.bmc.2011.05.038
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 、 potassium dicarbonate 作用下， 生成 1-Chlor-1-nitro-propen-(1)
  参考文献：
  名称：

  Schmidt,E.; Rutz, Chemische Berichte, 1928, vol. 61, p. 2145

  摘要：

  DOI：

文献信息

• Nasakin, O. E.; Lukin, P. M.; Zil'berg, S. P., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, p. 901 - 908
  作者：Nasakin, O. E.、Lukin, P. M.、Zil'berg, S. P.、Terent'ev, P. B.、Bulai, A. Kh.、et al.

  DOI：——

  日期：——
• Schmidt,E.; Rutz, Chemische Berichte, 1928, vol. 61, p. 2145
  作者：Schmidt,E.、Rutz

  DOI：——

  日期：——
• Discovery of novel c-Met kinase inhibitors bearing a thieno[2,3-d]pyrimidine or furo[2,3-d]pyrimidine scaffold
  作者：Ailing Zhao、Xin Gao、Yuanxiang Wang、Jing Ai、Ying Wang、Yi Chen、Meiyu Geng、Ao Zhang

  DOI：10.1016/j.bmc.2011.05.038

  日期：2011.7

  A series of thieno[2,3-d]pyrimidines and furo[2,3-d] pyrimidines were synthesized and evaluated for the c-Met inhibition. Thieno[2,3-d]pyrimidine 6b stood out as the most potent showing an IC(50) of 35.7 nM. This compound displayed high inhibitory effect on cell proliferation in BaF3-TPR-Met cells and showed high selectivity for c-Met family against other 14 tested kinases. However, compound 6b was found ineffective in the c-Met-dependent U-87MG human gliobastoma xenograft model that may be relevant to its poor PK profile. (C) 2011 Elsevier Ltd. All rights