4,5,6-三羟基-2-氧代-7-膦酰氧基庚酸 | 2627-73-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,5,6-三羟基-2-氧代-7-膦酰氧基庚酸
• 英文名称: 2-dehydro-3-deoxy-7-phosphono-D-arabino-heptanoic acid
• 英文别名: 3-deoxy-D-arabinoheptulosonate 7-phosphate；DAHP；3-deoxy-D-arabino-heptulosonate-7-phosphate；(4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid
• CAS: 2627-73-8
• 化学式: C₇H₁₃O₁₀P
• 分子量: 288.148
• InChiKey: PJWIPEXIFFQAQZ-PUFIMZNGSA-N

物化性质

• 沸点：
  674.7±65.0 °C(Predicted)
• 密度：
  1.859±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  182
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4,5,6-三羟基-2-氧代-7-膦酰氧基庚酸 在 zinc(II) sulfate 3-dehydroquinate synthase 、 HEPES buffer 、 oxidized β-nicotinamide-adenine dinucleotide 作用下， 以 sodium hydroxide 为溶剂， 反应 1.03h， 生成 1,3beta,4alpha-三羟基-5-氧代环己烷-1beta-羧酸
  参考文献：
  名称：

  反应的热力学研究：{2-dehydro-3-deoxy-d-arabino-heptanoate 7-phosphate(aq)=3-dehydroquinate(aq) + 磷酸盐(aq)}和{3-dehydroquinate(aq)=3 -脱氢莽草酸盐(aq)+H2O(l)}

  摘要：

  摘要 微量热法和高效液相色谱 (hplc) 已被用于对 3-脱氢奎尼酸合酶和 3-脱氢奎尼酸脱水酶催化的反应进行热力学研究。这些是导致分支酸形成的代谢途径中的第二和第三反应。这两个反应是：{DAHP(aq)=3-脱氢奎宁酸(aq)+磷酸盐(aq)}和{3-脱氢奎宁酸(aq)=3-脱氢莽草酸(aq)+H 2 O(l)}。hplc 测量表明，第一个反应进行到完成，第二个反应的表观平衡常数值为 K ' =（4.6±1.5）（Hepes 缓冲液，温度 T = 298.15 K，pH = 7.50，离子强度I m =0.065 mol·kg -1 )。量热测量导致反应摩尔焓 Δ r H m ( cal )=-(50.9±1.1) kJ · mol -1（Hepes 缓冲液，T =298.15 K, pH=7.46, I m =0.070 mol · kg -1 ) 对于第一反应和 Δ r H m (

  DOI：

  10.1016/s0021-9614(02)00226-4
• 作为产物：
  描述：

  phosphoenolpyruvic acid monopotassium salt 、 D-赤藓糖-4-磷酸钠 在 1,3-双((三羟甲基)甲基氨基)丙烷 、 manganese(ll) chloride sodium hydroxide 、 2-dehydro-3-deoxyphosphoheptanoate aldolase 、 HEPES buffer 作用下， 以 水 为溶剂， 反应 1.0h， 生成 4,5,6-三羟基-2-氧代-7-膦酰氧基庚酸
  参考文献：
  名称：

  反应的热力学研究：{2-dehydro-3-deoxy-d-arabino-heptanoate 7-phosphate(aq)=3-dehydroquinate(aq) + 磷酸盐(aq)}和{3-dehydroquinate(aq)=3 -脱氢莽草酸盐(aq)+H2O(l)}

  摘要：

  摘要 微量热法和高效液相色谱 (hplc) 已被用于对 3-脱氢奎尼酸合酶和 3-脱氢奎尼酸脱水酶催化的反应进行热力学研究。这些是导致分支酸形成的代谢途径中的第二和第三反应。这两个反应是：{DAHP(aq)=3-脱氢奎宁酸(aq)+磷酸盐(aq)}和{3-脱氢奎宁酸(aq)=3-脱氢莽草酸(aq)+H 2 O(l)}。hplc 测量表明，第一个反应进行到完成，第二个反应的表观平衡常数值为 K ' =（4.6±1.5）（Hepes 缓冲液，温度 T = 298.15 K，pH = 7.50，离子强度I m =0.065 mol·kg -1 )。量热测量导致反应摩尔焓 Δ r H m ( cal )=-(50.9±1.1) kJ · mol -1（Hepes 缓冲液，T =298.15 K, pH=7.46, I m =0.070 mol · kg -1 ) 对于第一反应和 Δ r H m (

  DOI：

  10.1016/s0021-9614(02)00226-4

文献信息

• Polynucleotides for production of farnesyl dibenzodiazepinones
  申请人：Farnet M. Chris

  公开号：US20060172395A1

  公开（公告）日：2006-08-03

  This invention provides genes and their encoded proteins, involved in the biosynthesis of farnesyl dibenzodiazepinones, including ECO-04601. The invention relates to expression vectors comprising the genes and to host cell transformed with these vectors. The invention further relates to methods of producing farnesyl dibenzodiazepinone compounds using the genes and proteins of the invention, for example, involving expression of biosynthetic pathway genes in transformed host cells.

  该发明提供了参与法尼酰二苯并二氮环酮（包括ECO-04601）生物合成的基因及其编码的蛋白质。该发明涉及包含这些基因的表达载体以及转化为这些载体的宿主细胞。该发明进一步涉及使用该发明中的基因和蛋白质生产法尼酰二苯并二氮环酮化合物的方法，例如在转化的宿主细胞中表达生物合成途径基因。
• Farnesyl dibenzodiazepinone, processes for its production and its use as a pharmaceutical
  申请人：Bachmann O. Brian

  公开号：US20050043297A1

  公开（公告）日：2005-02-24

  This invention relates to a novel farnesylated dibenzodiazepinone, named ECO-04601, its pharmaceutically acceptable salts and derivatives, and to methods for obtaining such compounds. One method of obtaining the ECO-04601 compound is by cultivation of a novel strain of Micromonospora sp., 046-ECO11; another method involves expression of biosynthetic pathway genes in transformed host cells. The present invention further relates to Micromonospora sp. strain 046-ECO11, to the use of ECO-04601 and its pharmaceutically acceptable salts and derivatives as pharmaceuticals, in particular to their use as inhibitors of cancer cell growth, bacterial cell growth, mammalian lipoxygenase, and to pharmaceutical compositions comprising ECO-04601 or a pharmaceutically acceptable salt or derivative thereof. Finally, the invention relates to novel polynucleotide sequences and their encoded proteins, which are involved in the biosynthesis of ECO-04601.

  本发明涉及一种新型的法尼酰化二苯并二氮杂环酮，命名为ECO-04601，其药学上可接受的盐和衍生物，以及获得这种化合物的方法。获得ECO-04601化合物的一种方法是通过培养一种新的微单孢菌株，046-ECO11；另一种方法涉及在转化的宿主细胞中表达生物合成途径基因。本发明还涉及微单孢菌株046-ECO11的使用，以及ECO-04601及其药学上可接受的盐和衍生物作为药物的使用，特别是作为癌细胞生长抑制剂、细菌细胞生长抑制剂、哺乳动物脂肪氧合酶抑制剂，以及包含ECO-04601或其药学上可接受的盐或衍生物的药物组合物。最后，本发明涉及新的多核苷酸序列及其编码的蛋白质，这些蛋白质参与ECO-04601的生物合成。
• Farnesyl dibenzodiazepinone and processes for its production
  申请人：McAlpine James B.

  公开号：US20080199940A1

  公开（公告）日：2008-08-21

  This invention relates to a novel farnesylated dibenzodiazepinone, named ECO-04601, its pharmaceutically acceptable salts and derivatives, and to methods for obtaining such compounds. One method of obtaining the ECO-04601 compound is by cultivation of a novel strain of Micromonospora sp., 046-ECO11; another method involves expression of biosynthetic pathway genes in transformed host cells. The present invention further relates to Micromonospora sp. strain 046-ECO11, to the use of ECO-04601 and its pharmaceutically acceptable salts and derivatives as pharmaceuticals, in particular to their use as inhibitors of cancer cell growth, bacterial cell growth, mammalian lipoxygenase, and to pharmaceutical compositions comprising ECO-04601 or a pharmaceutically acceptable salt or derivative thereof. Finally, the invention relates to novel polynucleotide sequences and their encoded proteins, which are involved in the biosynthesis of ECO-04601.

  本发明涉及一种新型的法尼醇基二苯并二氮杂环酮，命名为ECO-04601，其药物可接受的盐和衍生物，以及获得这种化合物的方法。获得ECO-04601化合物的一种方法是通过培养一种新的微单孢菌株Micromonosporasp. 046-ECO11; 另一种方法涉及在转化的宿主细胞中表达生物合成途径基因。本发明还涉及Micromonosporasp.株046-ECO11的使用，以及ECO-04601及其药物可接受的盐和衍生物作为药物的使用，特别是作为癌细胞生长抑制剂，细菌细胞生长抑制剂，哺乳动物脂氧合酶以及包含ECO-04601或其药物可接受的盐或衍生物的药物组合物。最后，本发明涉及新的多核苷酸序列及其编码的蛋白质，这些蛋白质参与ECO-04601的生物合成。
• FARNESYL DIBENZODIAZEPINONE AND PROCESSES FOR ITS PRODUCTION
  申请人：ZAZOPOULOS Emmanuel

  公开号：US20090263886A1

  公开（公告）日：2009-10-22

  This invention relates to a novel farnesylated dibenzodiazepinone, named ECO-04601, its pharmaceutically acceptable salts and derivatives, and to methods for obtaining such compounds. One method of obtaining the ECO-04601 compound is by cultivation of a novel strain of Micromonospora sp., 046-ECO11; another method involves expression of biosynthetic pathway genes in transformed host cells. The present invention further relates to Micromonospora sp. strain 046-ECO11, to the use of and its pharmaceutically acceptable salts and derivatives as pharmaceuticals, in particular to their use as inhibitors of cancer cell growth, bacterial cell growth, mammalian lipoxygenase, and to pharmaceutical compositions comprising ECO-04601 or a pharmaceutically acceptable salt or derivative thereof. Finally, the invention relates to novel polynucleotide sequences and their encoded proteins, which are involved in the biosynthesis of ECO-04601.

  本发明涉及一种新型的法尼酰化二苯并二氮平酮，名为ECO-04601，其药学上可接受的盐和衍生物，以及获得这种化合物的方法。获得ECO-04601化合物的一种方法是通过培养一种新的微单孢菌株Micromonosporasp.，046-ECO11；另一种方法涉及在转化的宿主细胞中表达生物合成途径基因。本发明还涉及Micromonosporasp.株系046-ECO11的使用及其药学上可接受的盐和衍生物作为药物，特别是它们作为抑制癌细胞生长、细菌细胞生长、哺乳动物脂氧合酶的药物的使用，以及包含ECO-04601或其药学上可接受的盐或衍生物的药物组合物。最后，本发明涉及新的多核苷酸序列及其编码的蛋白质，这些蛋白质参与ECO-04601的生物合成。
• POLYNUCLEOTIDES FOR PRODUCTION OF FARNESYL DIBENZODIAZEPINONES
  申请人：Farnet Chris M.

  公开号：US20080131943A1

  公开（公告）日：2008-06-05

  This invention provides genes and their encoded proteins, involved in the biosynthesis of farnesyl dibenzodiazepinones, including ECO-04601. The invention relates to expression vectors comprising the genes and to host cells transformed with these vectors. The invention further relates to methods of producing farnesyl dibenzodiazepinone compounds using the genes and proteins of the invention, for example, involving expression of biosynthetic pathway genes in transformed host cells.

  本发明提供了参与芳基二苯并二氮环酮的生物合成的基因及其编码的蛋白质，包括ECO-04601。本发明涉及包含这些基因的表达载体以及转化为这些载体的宿主细胞。本发明还涉及使用本发明的基因和蛋白质生产芳基二苯并二氮环酮化合物的方法，例如，在转化的宿主细胞中表达生物合成途径基因。