D-glycero-D-manno-heptose 7-phosphate

• 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
• 英文名称: D-glycero-D-manno-heptose 7-phosphate
• 英文别名: D-glycero-D-manno-heptose-7-phosphate；[(2R)-2-hydroxy-2-[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl] dihydrogen phosphate
• 化学式: C₇H₁₅O₁₀P
• 分子量: 290.164
• InChiKey: SDADNVAZGVDAIM-NNPWBXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  D-glycero-D-manno-heptose 7-phosphate 在 Escherichia coli HldE kinase 、 potassium chloride 、 5’-三磷酸腺苷 、 manganese(ll) chloride 作用下， 生成 D-glycero-D-manno-heptopyranose 1β,7-bisphosphate
  参考文献：
  名称：

  Towards Gram-negative antivirulence drugs: New inhibitors of HldE kinase

  摘要：

  Gram-negative bacteria lacking heptoses in their lipopolysaccharide (LPS) display attenuated virulence and increased sensitivity to human serum and to some antibiotics. Thus inhibition of bacterial heptose synthesis represents an attractive target for the development of new antibacterial agents. HldE is a bifunctional enzyme involved in the synthesis of bacterial heptoses. Development of a biochemical assay suitable for high-throughput screening allowed the discovery of inhibitors 1 and 2 of HldE kinase. Study of the structure-activity relationship of this series of inhibitors led to highly potent compounds. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.021
• 作为试剂：
  描述：

  5’-三磷酸腺苷 在 D-glycero-D-manno-heptose 7-phosphate 、 Escherichia coli HldE kinase 、 potassium chloride 、 manganese(ll) chloride 作用下， 生成 二磷酸腺苷
  参考文献：
  名称：

  Towards Gram-negative antivirulence drugs: New inhibitors of HldE kinase

  摘要：

  Gram-negative bacteria lacking heptoses in their lipopolysaccharide (LPS) display attenuated virulence and increased sensitivity to human serum and to some antibiotics. Thus inhibition of bacterial heptose synthesis represents an attractive target for the development of new antibacterial agents. HldE is a bifunctional enzyme involved in the synthesis of bacterial heptoses. Development of a biochemical assay suitable for high-throughput screening allowed the discovery of inhibitors 1 and 2 of HldE kinase. Study of the structure-activity relationship of this series of inhibitors led to highly potent compounds. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.021

文献信息

• Towards Gram-negative antivirulence drugs: New inhibitors of HldE kinase
  作者：Nicolas Desroy、François Moreau、Sophia Briet、Géraldine Le Fralliec、Stephanie Floquet、Lionel Durant、Vanida Vongsouthi、Vincent Gerusz、Alexis Denis、Sonia Escaich

  DOI：10.1016/j.bmc.2008.12.021

  日期：2009.2

  Gram-negative bacteria lacking heptoses in their lipopolysaccharide (LPS) display attenuated virulence and increased sensitivity to human serum and to some antibiotics. Thus inhibition of bacterial heptose synthesis represents an attractive target for the development of new antibacterial agents. HldE is a bifunctional enzyme involved in the synthesis of bacterial heptoses. Development of a biochemical assay suitable for high-throughput screening allowed the discovery of inhibitors 1 and 2 of HldE kinase. Study of the structure-activity relationship of this series of inhibitors led to highly potent compounds. (c) 2008 Elsevier Ltd. All rights reserved.