ethyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-phenylpropanoate | 18496-58-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 赭曲霉毒素及相关物质
• 英文名称: ethyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-phenylpropanoate
• 英文别名: ethyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate
• CAS: 18496-58-7；4865-85-4
• 化学式: C₂₂H₂₂ClNO₆
• 分子量: 431.9
• InChiKey: BPZZWRPHVVDAPT-UHFFFAOYSA-N

物化性质

• 沸点：
  612.6±55.0 °C(Predicted)
• 密度：
  1.328±0.06 g/cm3(Predicted)
• 溶解度：
  DMF：可溶； DMSO：可溶；乙醇：可溶；甲醇：可溶

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

ADMET

代谢

经口服和静脉注射后，结论是赭曲霉毒素C很容易转化为赭曲霉毒素A。

It is concluded that ochratoxin C is readily converted to ochratoxin A after both oral and intravenous administration. (A2873)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

赭曲霉毒素A（Ochratoxin A），是赭曲霉毒素C的代谢产物，已被证实具有微弱的致突变性，可能是通过诱导氧化DNA损伤。肾毒素赭曲霉毒素A（OTA）会导致肾小球滤过率（GFR）和氨基马尿酸（PAH）清除率降低。它是一种肾毒素，能够阻断Madin-Darby犬肾（MDCK）细胞中质膜阴离子通道的导电性。

Ochratoxin A, a metabolite of Ochratoxin C, has been shown to be weakly mutagenic, possibly by induction of oxidative DNA damage. The nephrotoxin ochratoxin A (OTA) causes a reduction of glomerular filtration rate (GFR) and of para-aminohippuric acid (PAH) clearance. It is a nephrotoxin which blocks plasma membrane anion conductance in Madin-Darby canine kidney (MDCK) cells. (A2869)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

曲霉毒素暴露与急性肾小管坏死和巴尔干地方性肾病有关。已证实曲霉毒素A具有肾毒性；可能会延迟性成熟。(A704)

Ochratoxin exposure has been associated with acute tubular necrosis and Balkan endemic nephropathy. Ochratoxin A has been shown to be nephrotoxic; might delay sexual maturation. (A704)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服、皮肤、吸入和 parenteral（被污染的药物）。 (A3101)

Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

可能导致呼吸道刺激。（A704）

Might cause respiratory irritation. (A704)

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• 危险等级：
  6.1(a)
• 储存条件：
  -20°C，密闭保存，干燥环境

制备方法与用途

生物活性方面，Ochratoxin C 是 Ochratoxin A 的乙酯类似物，由 A. ochraceus 生成，是一种神经毒素（真菌毒素）。Ochratoxin C 是常见的一种食品污染物。

文献信息

• Method for producing purified and/or concentrated analytes, use and kit
  申请人：AOKIN AG

  公开号：EP2026068A1

  公开（公告）日：2009-02-18

  The present invention relates to a method for producing purified and/or concentrated analytes of interest from a sample of biological sources, said method comprising or consisting of the following steps: a) providing an affinity column capable of being centrifuged, the column comprising or consisting of: (i) a centrifugation column, (ii) optionally one, two or more separators, and (iii) an affinity matrix comprising a matrix and one or more, the same or different binding moieties, wherein the binding moieties are attached to the matrix in such a way, that the binding moieties are capable of binding to the analytes of interest to form a binding moiety-analyte-complex so that the analytes of interest are not eluted from the column, b) optionally washing the affinity column with a washing solvent, c) adding the sample comprising the analytes of interest to and filtering the sample through the affinity column, so that at least part of the analytes of interest of the sample form the binding moiety-analyte-complex, d) optionally washing the affinity column comprising the binding moiety-analyte-complexes with a washing solvent, e) adding an incubating solvent to said affinity column comprising the binding moiety-analyte-complexes, f) incubating the incubation solvent on the affinity column comprising the binding moiety-analyte-complexes, so that at least part of the binding moiety-analyte-complexes are destroyed and g) eluting the analytes of interest from the affinity column by way centrifugation, a use of an affinity column capable for being centrifuged, a kit comprising an affinity column and an affinity column.

  本发明涉及一种从生物源样品中制备纯化和/或浓缩的相关分析物的方法，所述方法包括或由以下步骤组成： a) 提供可离心的亲和柱，该亲和柱包括或由以下部分组成： (i) 离心柱、 (ii) 可选的一个、两个或多个分离器，以及 (iii) 由基质和一个或多个相同或不同的结合分子组成的亲和基质，其中结合分子以这样 的方式附着在基质上，即结合分子能够与感兴趣的分析物结合形成结合分子-分析物-复合物， 从而使感兴趣的分析物不会从柱中洗脱出来、 b) 用洗涤溶剂清洗亲和柱、 c) 将包含相关分析物的样品加入亲和柱并通过亲和柱过滤样品，使样品中的至少一部分相关分析物形成结合莫伊--分析物--络合物、 d) 选择性地用洗涤溶剂清洗亲和柱，亲和柱中包括结合莫伊-分析物-复合物、 e) 将孵育溶剂加入到所述亲和柱中，亲和柱中包含结合莫伊-分析物络合物、 f) 在亲和柱上孵育孵育溶剂，使至少部分结合莫伊耶-分析物复合物被破坏，以及 g) 通过离心从亲和柱中洗脱出感兴趣的分析物、 使用可离心的亲和柱、包括亲和柱和亲和柱的试剂盒。
• Method of determining a concentration of analytes of interest in a sample
  申请人：Aokin AG

  公开号：EP2048500A1

  公开（公告）日：2009-04-15

  Summary: The present invention relates to a method of determining a concentration of analytes of interest in a sample reaction mixture, which includes or is suspected to include the analytes of interest, comprising or consisting of the following steps: a) Measuring or providing intensities of the polarized fluorescence of one, two, three, four, five or more comparative reaction mixtures with differing concentrations of analytes of interest in vertical and horizontal direction over a given time period of the reaction, b) Measuring an intensity of the polarized fluorescence of a sample reaction mixture in vertical and horizontal direction over a given time period of the reaction, c) Determining preliminary concentrations of the analytes of interest in the sample reaction mixture by comparing the measured intensities of the sample reaction mixture at two, three, four, five or more time points of the reaction (tn = t0s + xn) with the intensities of the first, second, third, fourth, fifth and further comparative reaction mixture at the same time points of the reaction (tn = t0c + xn), d) Determining the margin of error for the preliminary concentration of the analytes of interest in the sample reaction mixture in step c) at the given time points (tn) and e) Determining the concentration of the analytes of interest in the sample reaction mixture by comparing the preliminary concentrations and the respective margin of error at the given time points (tn) and selecting the appropriate preliminary concentration or a mean value of preliminary concentrations to be the concentration of analytes of interest in the sample reaction mixture.

  摘要： 本发明涉及一种确定样品反应混合物中相关分析物浓度的方法，该混合物包括或疑似包括相关分析物，该方法包括或由以下步骤组成： a) 在反应的给定时间段内，测量或提供一种、两种、三种、四种、五种或更多种具有不同浓度的相关分析物的比较反应混合物在垂直和水平方向上的偏振荧光强度、 b) 在反应的给定时间段内，测量样品反应混合物在垂直和水平方向上的偏振荧光强度、 c) 将样品反应混合物在反应的两个、三个、四个、五个或更多时间点（tn = t0s + xn）的测量强度与第一、第二、第三、第四、第五和更多比较反应混合物在反应的相同时间点（tn = t0c + xn）的强度进行比较，确定样品反应混合物中相关分析物的初步浓度、 d) 在给定的时间点（tn），确定步骤 c）中样品反应混合物中相关分析物初步浓度的误差范围，以及 e) 通过比较给定时间点（tn）的初步浓度和各自的误差范围，确定样品反应混合物中相关分析物的浓度，并选择适当的初步浓度或初步浓度的平均值作为样品反应混合物中相关分析物的浓度。
• BIOLOGICAL DEGRADATION OF OCHRATOXIN A INTO OCHRATOXIN
  申请人：Centro di Ricerca per l'Enologia (CRA-ENO)

  公开号：EP2599876A1

  公开（公告）日：2013-06-05

  The invention relates to the use of a microorganism of the genus Brevibacterium for the biological degradation of ochratoxin A, in which the microorganism is preferably Brevibacterium casei, Brevibacterium linens, Brevibacterium iodinum or Brevibacterium epidermidis. In addition, the invention relates to a method for the production of ochratoxin α using said microorganism.

  本发明涉及使用乳杆菌属微生物对赭曲霉毒素 A 进行生物降解，其中的微生物最好是干酪乳杆菌、亚麻乳杆菌、碘乳杆菌或表皮乳杆菌。此外，本发明还涉及一种利用上述微生物生产赭曲霉毒素 α 的方法。
• Biological degradation of ochratoxin A into ochratoxin α
  申请人：Muñoz Moreno María Rosario

  公开号：US10004251B2

  公开（公告）日：2018-06-26

  The invention relates to the use of a microorganism of the genus Brevibacterium for the biological degradation of ochratoxin A, in which the microorganism is preferably Brevibacterium casei, Brevibacterium linens, Brevibacterium iodinum or Brevibacterium epidermidis. In addition, the invention relates to a method for the production of ochratoxin α using said microorganism.

  本发明涉及使用乳杆菌属微生物对赭曲霉毒素 A 进行生物降解，其中的微生物最好是干酪乳杆菌、亚麻乳杆菌、碘乳杆菌或表皮乳杆菌。此外，本发明还涉及一种利用上述微生物生产赭曲霉毒素 α 的方法。
• Fungicide for the treatment of fungal pathogens causing mycotoxins
  申请人：AGRONATURALIS LTD

  公开号：US10897906B2

  公开（公告）日：2021-01-26

  Fungal diseases and resulting mycotoxins are reduced or eliminated from plant tissues during crop growth or post-harvest during storage by treatment with an aqueous spray solution prepared from a fungicide composition of a bicarbonate salt containing a surfactant system to reduce the surface tension and contact angle of the spray solution on the plant surface thereby controlling the crystal size of the bicarbonate and re-distribution and adherence of the crystals to the crop vegetation and/or grains.

  在作物生长过程中或收获后贮藏过程中，使用由含有表面活性剂系统的碳酸氢盐杀真菌剂组合物制备的水喷雾溶液处理植物组织，可减少或消除真菌疾病和由此产生的霉菌毒素，从而降低喷雾溶液在植物表面的表面张力和接触角，从而控制碳酸氢盐晶体的大小以及晶体在作物植被和/或谷物上的再分布和附着。