1,2,9,10-四氯癸烷 | 205646-11-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 1,2,9,10-四氯癸烷
• 英文名称: 1,2,9,10-tetrachlorodecane
• 英文别名: CP-2
• CAS: 205646-11-3
• 化学式: C₁₀H₁₈Cl₄
• 分子量: 280.065
• InChiKey: VXBHNYIEBLRXAW-UHFFFAOYSA-N

物化性质

• 沸点：
  335.7±10.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

制备方法与用途

生物活性

CP2是一种环肽，能够抑制JmjC histone demethylases KDM4，对KDM4A和KDM4C的IC50值分别为42 nM和29 nM。

靶点

• KDM4C (细胞外测定): 29 nM
• KDM4A (细胞外测定): 42 nM

体外研究

CP2特异地与KDM4A底物结合口袋结合，能够与组蛋白底物竞争性地与KDM4A活性位点结合。

反应信息

• 作为产物：
  描述：

  1,9-癸二烯 在 氯 作用下， 生成 1,2,9,10-四氯癸烷
  参考文献：
  名称：

  Effects of temperature and sample amount on the electron capture negative ion mass spectra of polychloro-n-alkanes

  摘要：

  Ion source temperature, sample amount and the positions of the chlorine atoms attached to the neutral molecule all had profound effects on the appearance of the ECNI mass spectra of a number of synthesized polychloro-n-alkanes (PCAs). Increases in the ion source temperature resulted in a decrease in the abundances of both the [M + Cl](-) and [M - Cl](-) ions, while the abundances of the structurally non-characteristic ions, HCl2- and Cl-2(-)., increased. An increase in the amount of the injected PCA resulted in an increase in the abundance of the [M + Cl](-) ion, most notably for congeners containing chlorine atoms only 1,2-substituted at both ends of the alkane chain. The abundance of the [M - Cl](-) ion increases with decreasing ion source temperature down to 120 degrees C, the lowest temperature easily maintained with our instrument. For analytical purposes we recommend that this source temperature be used. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(98)00130-1

文献信息

• Effects of temperature and sample amount on the electron capture negative ion mass spectra of polychloro-n-alkanes
  作者：Gregg T. Tomy、Sheryl A. Tittlemier、Gary A. Stern、Derek C.G. Muir、John B. Westmore

  DOI：10.1016/s0045-6535(98)00130-1

  日期：1998.9

  Ion source temperature, sample amount and the positions of the chlorine atoms attached to the neutral molecule all had profound effects on the appearance of the ECNI mass spectra of a number of synthesized polychloro-n-alkanes (PCAs). Increases in the ion source temperature resulted in a decrease in the abundances of both the [M + Cl](-) and [M - Cl](-) ions, while the abundances of the structurally non-characteristic ions, HCl2- and Cl-2(-)., increased. An increase in the amount of the injected PCA resulted in an increase in the abundance of the [M + Cl](-) ion, most notably for congeners containing chlorine atoms only 1,2-substituted at both ends of the alkane chain. The abundance of the [M - Cl](-) ion increases with decreasing ion source temperature down to 120 degrees C, the lowest temperature easily maintained with our instrument. For analytical purposes we recommend that this source temperature be used. (C) 1998 Elsevier Science Ltd. All rights reserved.