6-乙酰基吩嗪-1-羧酸 | 120464-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 6-乙酰基吩嗪-1-羧酸
• 英文名称: 6-acetylphenazine-1-carboxylic acid
• CAS: 120464-88-2
• 化学式: C₁₅H₁₀N₂O₃
• 分子量: 266.256
• InChiKey: VRKHKGIAJQUVOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-乙酰基吩嗪-1-羧酸 以79%的产率得到
  参考文献：
  名称：

  BAHNMULLER, URS;KELLER-SCHIERLEIN, WALTER;BRANDL, MATTHIAS;ZAHNER, HANS;D+, J. ANTIBIOTICS., 41,(1988) N 11, C. 1552-1560

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-3-硝基苯甲酸 在 manganese(IV) oxide 、 sodium tetrahydroborate 、 sodium ethanolate 、 铜 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 28.0h， 生成 6-乙酰基吩嗪-1-羧酸
  参考文献：
  名称：

  吩嗪抗生素在抗生素链霉菌中的生物合成：醋酸碳 2 甲基转移的立体化学

  摘要：

  稳定同位素标记实验表明，在抗生素链霉菌 Tu 2706 中，单体吩嗪、苯酯及其二聚化产物 esmeraldins 的生物合成是从吩嗪-1,6-二羧酸通过与乙酸的 C-2 进行链延伸进行的到 6-乙酰吩嗪-1-羧酸，后者被还原为隐苯酸。后者被纳入 esmeraldins 的两半，尽管有所不同。通过加入手性乙酸盐、降解生成的苯酯和 esmeraldins 以及对形成的乙酸进行构型分析，发现链延长过程是在甲基的构型发生整体反转的情况下进行的。这表明假设中间体 β-酮酸的脱羧以反转模式进行。

  DOI：

  10.1021/ja991159i

文献信息

• Trichothecene-transforming alcohol dehydrogenase, method for transforming trichothecenes and trichothecene-transforming additive
  申请人：Erber Aktiengesellschaft

  公开号：US11001812B2

  公开（公告）日：2021-05-11

  An alcohol dehydrogenase of sequence ID numbers 2, 3 or 4 containing metal ions and a quinone cofactor, or in addition, a functional variant exhibiting a sequence identity of at least 80%, preferably at least 86%, especially preferred at least 89% and at least one redox cofactor for the transformation of at least one trichothecene exhibiting a hydroxyl group on the C-3 atom, as well as a method for the enzymatic transformation of trichothecenes and a trichothecene-transforming additive.

  一种序列 ID 号为 2、3 或 4 的醇脱氢酶，含有金属离子和醌辅助因子，或此外还含有一种功能变体，其序列同一性至少为 80%，优选至少为 86%，特别优选至少为 89%，并含有至少一种氧化还原辅助因子，用于转化至少一种 C-3 原子上带有羟基的单端孢霉烯，以及一种单端孢霉烯酶促转化方法和一种单端孢霉烯转化添加剂。
• IMPROVED POLYPEPTIDES CAPABLE OF CONVERTING SUBSTRATE 3-KETO- DEOXYNIVALENOL INTO 3-EPI- DEOXYNIVALENOL
  申请人：Erber Aktiengesellschaft

  公开号：EP4022047A1

  公开（公告）日：2022-07-06
• TRICHOTHECENE-TRANSFORMING ALCOHOL DEHYDROGENASE, METHOD FOR TRANSFORMING TRICHOTHECENES AND TRICHOTHECENE-TRANSFORMING ADDITIVE
  申请人：Erber Aktiengesellschaft

  公开号：US20180080011A1

  公开（公告）日：2018-03-22

  A alcohol dehydrogenase of sequence ID no. 1 containing metal ions and a quinone cofactor, or in addition, a functional variant exhibiting a sequence identity of at least 80%, preferably at least 86%, especially preferred at least 89% and at least one redox cofactor for the transformation of at least one trichothecene exhibiting a hydroxyl group on the C-3 atom, as well as a method for the enzymatic transformation of trichothecenes and a trichothecene-transforming additive.
• [EN] IMPROVED POLYPEPTIDES CAPABLE OF CONVERTING SUBSTRATE 3-KETO- DEOXYNIVALENOL INTO 3-EPI- DEOXYNIVALENOL<br/>[FR] POLYPEPTIDES AMÉLIORÉS CAPABLES DE CONVERTIR DU 3-CÉTO-DÉSOXYNIVALÉNOL DE SUBSTRAT EN 3-ÉPI-DÉSOXYNIVALÉNOL
  申请人：ERBER AG

  公开号：WO2021038026A1

  公开（公告）日：2021-03-04

  The present invention relates to compositions comprising one or more polypeptide(s) comprising or consisting of a sequence of SEQ ID NO. 1-14 or a sequence having a sequence identity of at least 75 % to any one of SEQ ID NO. 1-14 and a carrier as well as uses and methods of these polypeptides.
• [EN] IMPROVED POLYPEPTIDES CAPABLE OF CONVERTING SUBSTRATE 3-KETO- DEOXYNIVALENOL INTO 3-EPI-DEOXYNIVALENOL<br/>[FR] POLYPEPTIDES AMÉLIORÉS CAPABLES DE CONVERTIR DU 3-CÉTO-DÉSOXYNIVALÉNOL DE SUBSTRAT EN 3-ÉPI-DÉSOXYNIVALÉNOL
  申请人：ERBER AG

  公开号：WO2021249980A1

  公开（公告）日：2021-12-16

  The present invention relates to a method of converting 3-keto-DON into 3-epi-DON, reducing the content of DON in a composition comprising DON or of reducing the toxicity of a composition comprising DON as well as a method for converting a trichothecene comprising a 3-oxo group into a trichothecene comprising a 3-hydroxy group using one or more polypeptide(s) comprising or consisting of SEQ ID NO. 1 or a sequence having a sequence identity of at least 72.0 % to SEQ ID NO. 1. Also envisioned are feed or food additives or feed or food as well as pharmaceutical compositions comprising one or more polypeptide(s) comprising or consisting of a sequence of SEQ ID NO. 1 or a sequence having a sequence identity of at least 72.0 % to SEQ ID NO. 1 as well as the manufacture thereof. Encompassed are further polypeptide(s) comprising or consisting of a sequence of SEQ ID NO. 1 or a sequence having a sequence identity of at least 88.5 % to SEQ ID NO. 1. Also envisioned are host cells or plants.