6-acetossi-4-cloro-3-esanone | 80857-01-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-acetossi-4-cloro-3-esanone
• 英文别名: acetic acid 3-chloro-4-oxo-hexyl ester；(3-Chloro-4-oxohexyl) acetate
• CAS: 80857-01-8
• 化学式: C₈H₁₃ClO₃
• 分子量: 192.642
• InChiKey: VRWUZLWBHABHQR-UHFFFAOYSA-N

物化性质

• 沸点：
  74 °C(Press: 0.4 Torr)
• 密度：
  1.113±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-acetossi-4-cloro-3-esanone 在 氨 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 2-(5-etil-4-imidazolil)etilamina dipicrato
  参考文献：
  名称：

  Plazzi; Bordi; Vitto, Farmaco, Edizione Scientifica, 1981, vol. 36, # 11, p. 921 - 931

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酸酐 、 2-cloro-2-propionilbutirrolattone 在 盐酸 作用下， 生成 6-acetossi-4-cloro-3-esanone
  参考文献：
  名称：

  Plazzi; Bordi; Vitto, Farmaco, Edizione Scientifica, 1981, vol. 36, # 11, p. 921 - 931

  摘要：

  DOI：

文献信息

• Metal-catalyzed organic photoreactions. Chemo- and regioselectivities in the CuCl2-induced photooxidation of olefins
  作者：Tadashi Sato、Shin-ichi Yonemochi

  DOI：10.1016/s0040-4020(01)90468-5

  日期：——

  Copper(II) chloride induced the chemo and regioselective chlorohydroperoxidation, as well as the site-selective chlorination of olefins, under photooxygenation conditions.

  氯化铜（II）在光氧合条件下诱导了化学和区域选择性的氯代氢过氧化作用，以及烯烃的位点选择性氯化。
• Synthesis, in vitro and in vivo activity of thiamine antagonist transketolase inhibitors
  作者：Allen A. Thomas、Y. Le Huerou、J. De Meese、Indrani Gunawardana、Tomas Kaplan、Todd T. Romoff、Stephen S. Gonzales、Kevin Condroski、Steven A. Boyd、Josh Ballard、Bryan Bernat、Walter DeWolf、May Han、Patrice Lee、Christine Lemieux、Robin Pedersen、Jed Pheneger、Greg Poch、Darin Smith、Francis Sullivan、Solly Weiler、S. Kirk Wright、Jie Lin、Barb Brandhuber、Guy Vigers

  DOI：10.1016/j.bmcl.2007.11.101

  日期：2008.3

  Tumor cells extensively utilize the pentose phosphate pathway for the synthesis of ribose. Transketolase is a key enzyme in this pathway and has been suggested as a target for inhibition in the treatment of cancer. In a pharmacodynamic study, nude mice with xenografted HCT-116 tumors were dosed with 1 ('N3'-pyridyl thiamine'; 3-(6-methyl-2-amino-pyridin-3-ylmethyl)-5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium chloride hydrochloride), an analog of thiamine, the co-factor of transketolase. Transketolase activity was almost completely suppressed in blood, spleen, and tumor cells, but there was little effect on the activity of the other thiamine-utilizing enzymes alpha-ketoglutarate dehydrogenase or glucose-6-phosphate dehydrogenase. Synthesis and SAR of transketolase inhibitors is described. (C) 2007 Elsevier Ltd. All rights reserved.
• PLAZZI, P. V.;BORDI, F.;VITTO, M.;IMPICCIATORE, M., FARMACO. ED. SCI., 1981, 36, N 11, 921-931
  作者：PLAZZI, P. V.、BORDI, F.、VITTO, M.、IMPICCIATORE, M.

  DOI：——

  日期：——