6-Ammonio-5-hydroxycyclohexa-1,3-diene-1-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-Ammonio-5-hydroxycyclohexa-1,3-diene-1-carboxylate
• 英文别名: 6-azaniumyl-5-hydroxycyclohexa-1,3-diene-1-carboxylate
• 化学式: C₇H₉NO₃
• 分子量: 155.15
• InChiKey: XBTXTLKLSHACSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Biosynthetic production of (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid (2,3-CHA)
  申请人：DSM IP Assets B.V.

  公开号：EP1728872A1

  公开（公告）日：2006-12-06

  The invention relates to a process for the biosynthetic production and recovery of [5S,6S]-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid) catalyzed, at increased enzyme activity, at least by an enzyme belonging to the class of aminodeoxyisochorismate (ADIC) synthases and an enzyme belonging to the class of isochorismatases, wherein (a) the production is carried out fermentatively with a suitable carbon source as starting material in a chorismate overproducing host microorganism, and with an aminodeoxyisochorismate (ADIC) synthase enzyme selected from the group of such ADIC synthase enzymes that are lacking ADIC lyase activity, and (b) the recovery is carried out by means of concentrating the supernatant of the fermentation to a 2,3-CHA concentration of at least 25 g/l, followed by crystallisation from the said concentrated supernatant. In a second embodiment, the present invention relates to the use of [5S,6S]-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid (2,3-CHA) as a catalytically active product, in particular as a chiral catalyst. Finally, the invention relates to the novel zinc complex of 2,3-CHA.

  本发明涉及一种生物合成生产和回收[5S,6S]-6-氨基-5-羟基环己-1,3-二烯-1-羧酸的过程，至少由属于氨基脱氧异异恶唑酸（ADIC）合成酶类和异恶唑酸酶类的酶催化，在增加酶活性的情况下，其中（a）生产是在具有咽氨酸过多的宿主微生物中，以适当的碳源作为起始材料，利用选择自不具有ADIC裂解酶活性的ADIC合成酶酶类之一的ADIC合成酶酶进行发酵生产的，并且（b）回收是通过将发酵液上清浓缩至至少25g/l的2,3-CHA浓度，然后从所述浓缩上清中结晶实现的。在第二个实施例中，本发明涉及将[5S,6S]-6-氨基-5-羟基环己-1,3-二烯-1-羧酸（2,3-CHA）用作催化活性产品，特别是用作手性催化剂。最后，本发明涉及2,3-CHA的新锌配合物。
• 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。