6,7-二溴庚酸 | 374073-29-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 6,7-二溴庚酸
• 英文名称: 6,7-dibromoheptanoic acid
• 英文别名: 6,7-Dibrom-heptansaeure-(1)
• CAS: 374073-29-7
• 化学式: C₇H₁₂Br₂O₂
• 分子量: 287.979
• InChiKey: YOWPWBUBXRNTMN-UHFFFAOYSA-N

物化性质

• 沸点：
  330.6±27.0 °C(Predicted)
• 密度：
  1.740±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,7-二溴庚酸 在 sodium amide 作用下， 以 乙醚 、 氨 为溶剂， 反应 1.5h， 以63%的产率得到6-庚炔酸
  参考文献：
  名称：

  摘要：

  A convenient method for the synthesis of omega- and (omega - 1)-acetylenic acids involves free-radical oxidative scission of cycloalkanones containing five-, six, or seven-membered cycles to give the corresponding co-olefinic acids followed by bromination of the latter and subsequent dehydrobromination under the action of alkalis.

  DOI：

  10.1023/a:1011303024847
• 作为产物：
  描述：

  6-庚烯酸 在 溴 作用下， 以 乙醚 为溶剂， 生成 6,7-二溴庚酸
  参考文献：
  名称：

  Organic Peroxides. II. the Mechanism of the Thermal Decomposition of 6-Heptenoyl Peroxide in Toluene. the Rearrangements of the 5-Hexenyl Radical

  摘要：

  DOI：

  10.1021/ja00904a039

文献信息

• Synthesis and evaluation of some novel isochroman carboxylic acid derivatives as potential anti-diabetic agents
  作者：N. Lakshminarayana、Y. Rajendra Prasad、Laxmikant Gharat、Abraham Thomas、P. Ravikumar、Shridhar Narayanan、C.V. Srinivasan、Balasubramanian Gopalan

  DOI：10.1016/j.ejmech.2009.03.009

  日期：2009.8

  A series of novel isochroman mono-carboxylic acid derivatives were synthesized, characterized and evaluated for their ability to inhibit protein tyrosine phosphatase 1B (PTP1B) in vitro in order to use them as potential anti-diabetic agents. Analysis of structure-activity relationships led to the identification of potent compound 4n which inhibited PTP1B with IC50 value of 51.63 +/- 0.91 nM. In general, high potency was associated with a dithiolane ring with a spacer of five carbons to the isochroman ring. Compound 4n has been selected for in vivo evaluation as drug candidate for anti-diabetic activity. (C) 2009 Elsevier Masson SAS. All rights reserved.