| 1549811-68-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• CAS: 1549811-68-8
• 化学式: C₁₇H₂₂NO₄P
• 分子量: 335.34
• InChiKey: APSLMDBOAJFYGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  23.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  48.0
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 甲酸 、 palladium on activated charcoal 、 氢气 、 palladium(II) hydroxide 、 sodium hydride 作用下， 以 甲醇 、 乙醚 、 水 、 乙腈 、 mineral oil 为溶剂， 反应 4.0h， 生成 trimethyl(3-phosphonooxypropyl)ammonium iodide
  参考文献：
  名称：

  Structurally diverse low molecular weight activators of the mammalian pre-mRNA 3′ cleavage reaction

  摘要：

  The 3' end formation of mammalian pre-mRNA contributes to gene expression regulation by setting the downstream boundary of the 3' untranslated region, which in many genes carries regulatory sequences. A large number of protein cleavage factors participate in this pre-mRNA processing step, but chemical tools to manipulate this process are lacking. Guided by a hypothesis that a PPM1 family phosphatase negatively regulates the 3' cleavage reaction, we have found a variety of new small molecule activators of the in vitro reconstituted pre-mRNA 3' cleavage reaction. New activators include a cyclic peptide PPM1D inhibitor, a dipeptide with modifications common to histone tails, abscisic acid and an improved L-arginine beta-naphthylamide analog. The minimal concentration required for in vitro cleavage has been improved from 200 mu M to the 200 nM-100 mu M range. These compounds provide unexpected leads in the search for small molecule tools able to affect pre-mRNA 3' end formation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.12.006
• 作为产物：
  描述：

  3-二甲氨基-1-丙醇 、 氯磷酸二苯酯 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以92%的产率得到
  参考文献：
  名称：

  Structurally diverse low molecular weight activators of the mammalian pre-mRNA 3′ cleavage reaction

  摘要：

  The 3' end formation of mammalian pre-mRNA contributes to gene expression regulation by setting the downstream boundary of the 3' untranslated region, which in many genes carries regulatory sequences. A large number of protein cleavage factors participate in this pre-mRNA processing step, but chemical tools to manipulate this process are lacking. Guided by a hypothesis that a PPM1 family phosphatase negatively regulates the 3' cleavage reaction, we have found a variety of new small molecule activators of the in vitro reconstituted pre-mRNA 3' cleavage reaction. New activators include a cyclic peptide PPM1D inhibitor, a dipeptide with modifications common to histone tails, abscisic acid and an improved L-arginine beta-naphthylamide analog. The minimal concentration required for in vitro cleavage has been improved from 200 mu M to the 200 nM-100 mu M range. These compounds provide unexpected leads in the search for small molecule tools able to affect pre-mRNA 3' end formation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.12.006