3-(4-isopropylphenyl)propynenitrile

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-(4-isopropylphenyl)propynenitrile
• 英文别名: 3-(4-Propan-2-ylphenyl)prop-2-ynenitrile；3-(4-propan-2-ylphenyl)prop-2-ynenitrile
• 化学式: C₁₂H₁₁N
• 分子量: 169.226
• InChiKey: ZGUYZUBUEZUZGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(4-isopropylphenyl)propynenitrile 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以80%的产率得到4-(4-isopropylphenyl)-5-cyano-2H-1,2,3-triazole
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-aryl-5-cyano-2H-1,2,3-triazoles as inhibitor of HER2 tyrosine kinase

  摘要：

  4-Aryl-5-cyano-2H-1,2,3-triazoles bearing a variety of substituting groups on 4-phenyl were synthesized. The chemicals, designed as HER2 tyrosine kinase inhibitors, were screened for bioactivity of inhibiting growth of breast cancer MDA-MB-453 cells. The lowest IC50 value of inhibiting HER2 tyrosine kinase phosphorylation in breast cancer cells is 6.6 mu M and the IC50 value of cell growth inhibition is correspondingly 30.9 mu M. The lipophilicity of substituting groups on triazoles is the main factor to influence their bioactivities. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.09.041
• 作为产物：
  描述：

  4-异丙基苯乙炔 、 氰化亚铜 在 三甲基氯硅烷 、 sodium iodide 作用下， 以 水 、 二甲基亚砜 、 乙腈 为溶剂， 反应 72.0h， 以80%的产率得到3-(4-isopropylphenyl)propynenitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-aryl-5-cyano-2H-1,2,3-triazoles as inhibitor of HER2 tyrosine kinase

  摘要：

  4-Aryl-5-cyano-2H-1,2,3-triazoles bearing a variety of substituting groups on 4-phenyl were synthesized. The chemicals, designed as HER2 tyrosine kinase inhibitors, were screened for bioactivity of inhibiting growth of breast cancer MDA-MB-453 cells. The lowest IC50 value of inhibiting HER2 tyrosine kinase phosphorylation in breast cancer cells is 6.6 mu M and the IC50 value of cell growth inhibition is correspondingly 30.9 mu M. The lipophilicity of substituting groups on triazoles is the main factor to influence their bioactivities. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.09.041

文献信息

• CONJUGATES OF CYSTEINE ENGINEERED ANTIBODIES
  申请人：ImmunoGen, Inc.

  公开号：US20170014522A1

  公开（公告）日：2017-01-19

  The invention relates to novel cell-binding agent-cytotoxic agent conjugates, wherein the cell-binding agent (CBA) is covalently linked to the cytotoxic agent through an engineered Cys, such as an engineered Cys in the heavy chain CH3 domain, at a position corresponds to the EU/OU numbering position 442 (or C442) on an antibody CBA. The invention also provides methods of preparing the conjugates of the present invention. The invention further provides composition and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the conjugates of the invention.
• Synthesis and biological evaluation of 4-aryl-5-cyano-2H-1,2,3-triazoles as inhibitor of HER2 tyrosine kinase
  作者：Zhi-Yi Cheng、Wen-Jie Li、Feng He、Jun-Min Zhou、Xiao-Feng Zhu

  DOI：10.1016/j.bmc.2006.09.041

  日期：2007.2.1

  4-Aryl-5-cyano-2H-1,2,3-triazoles bearing a variety of substituting groups on 4-phenyl were synthesized. The chemicals, designed as HER2 tyrosine kinase inhibitors, were screened for bioactivity of inhibiting growth of breast cancer MDA-MB-453 cells. The lowest IC50 value of inhibiting HER2 tyrosine kinase phosphorylation in breast cancer cells is 6.6 mu M and the IC50 value of cell growth inhibition is correspondingly 30.9 mu M. The lipophilicity of substituting groups on triazoles is the main factor to influence their bioactivities. (c) 2006 Elsevier Ltd. All rights reserved.