硫丹硫酸酯 | 1031-07-8

• 物质功能分类: 有机原料 - 无机酸酯
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: 硫丹硫酸酯
• 中文别名: 硫丹硫酸盐
• 英文名称: endosulfan sulfate
• 英文别名: endosulfan sulphate；1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide
• CAS: 1031-07-8
• 化学式: C₉H₆Cl₆O₄S
• 分子量: 422.928
• InChiKey: AAPVQEMYVNZIOO-UHFFFAOYSA-N

物化性质

• 熔点：
  147.71°C
• 沸点：
  480.7±45.0 °C(Predicted)
• 密度：
  1.6835 (estimate)
• 闪点：
  -26 °C
• 溶解度：
  DMSO：微溶，甲醇：微溶
• 物理描述：
  Endosulfan sulfate is a water solubility - <1 mg/L at 72°F.
• 蒸汽压力：
  1.0X10-11 mm Hg at 25 °C
• 保留指数：
  2311.9;2291.2;2301.4
• 稳定性/保质期：
  <b> <p></p> </b>

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

对大鼠口服或腹腔注射/endothall/硫酸盐/...产生了羟基醚和内酯。

ADMINISTRATION OF THE /ENDOSULFAN/ SULFATE /ORALLY OR IP TO RATS/ ... GAVE RISE TO THE HYDROXYETHER & LACTONE.

来源:Hazardous Substances Data Bank (HSDB)

代谢

在绿色/烟草/叶片中，内吸磷硫酸盐被代谢成了内吸磷I，而在烤烟过程中，硫酸盐残留物转化为了内吸磷II。假设完整叶片中的硫酸盐转化为内吸磷I的过程是由一种在烤烟过程中丢失的酶所控制。

IN GREEN /TOBACCO/ LEAVES, ENDOSULFAN SULFATE WAS METABOLIZED INTO ENDOSULFAN I, WHILE DURING CURING THE SULFATE RESIDUE WAS CONVERTED TO ENDOSULFAN II. IT IS ASSUMED THAT THE CONVERSION OF THE SULFATE IN THE INTACT LEAF INTO ENDOSULFAN I IS GOVERNED BY AN ENZYME WHICH IS LOST DURING THE CURING PROCESS.

来源:Hazardous Substances Data Bank (HSDB)

代谢

在受温度压力的老鼠口服施用-endosulfan I或II，endosulfan sulfate是组织、器官和粪便中最常恢复的代谢物，而不受温度压力的影响。二醇，α-羟基醚和内酯...在大多数尿液和粪便样本中发现。

IN TEMP STRESSED RATS ORALLY DOSED WITH ENDOSULFAN I OR II, ENDOSULFAN SULFATE WAS THE METABOLITE MOST COMMONLY RECOVERED FROM TISSUES, ORGANS & FECES REGARDLESS OF TEMP STRESS. THE DIOL, ALPHA-HYDROXY ETHER & LACTONE ... WERE FOUND IN MOST URINE & FECES SAMPLES.

来源:Hazardous Substances Data Bank (HSDB)

代谢

... 白色小鼠（BALB/C 品系）被喂食了标记有 (14)C 的恩得硫酸。这两种异构体并未完全从消化道吸收，但与恩得硫酸和二醇一起随粪便排出。在肾脏和肌肉提取物中仅发现了极少量的氧化恩得硫酸，但在血液或脑提取物中并未发现这两种已知的代谢物或恩得硫酸。... 在给药后24小时，在肝脏中检测到了大量的恩得硫酸盐，在肾脏中检测到了微量 /小鼠/ ... 接受了单剂量的恩得硫酸。

... WHITE MICE (BALB/C STRAIN) WERE FED (14)C-LABELED ENDOSULFAN. THE TWO ISOMERS WERE NOT COMPLETELY ABSORBED FROM GI TRACT BUT, ALONG WITH ENDOSULFAN SULFATE & DIOL, WERE EXCRETED IN FECES. ONLY A TRACE OF OXIDIZED ENDOSULFAN WAS FOUND IN KIDNEY & MUSCLE EXTRACTS BUT NEITHER OF THE TWO KNOWN METABOLITES NOR ENDOSULFAN WAS FOUND IN BLOOD OR BRAIN EXTRACTS. ... LARGE AMOUNTS OF ENDOSULFAN SULFATE WERE DETECTED IN THE LIVER & TRACES IN THE KIDNEY 24 HR AFTER /MICE/ ... RECEIVED SINGLE DOSES OF ENDOSULFAN.

来源:Hazardous Substances Data Bank (HSDB)

代谢

杀螟硫磷及其代谢物，包括硫酸盐、二醇、α-羟基醚、内酯和杀螟硫磷的醚衍生物，会通过尿液和粪便排出体外。

Endosulfan and its metabolites, which include sulfate, diol, α-hydroxyether, lactone, and ether derivatives of endosulfan, are excreted in the urine and faeces. (L114)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

硫酸安杀螨对立神经递质γ-氨基丁酸（GABA）的作用，作用于GABA-A受体，有效阻断GABA诱导的氯离子摄取。硫酸安杀螨还抑制Na+ K+ ATP酶和Ca2+和Mg2+ ATP酶，这些对于跨膜钙传输至关重要。这导致细胞内游离钙离子的积累，促进储存囊泡中神经递质的释放，随后相邻神经元的去极化，以及刺激在整个中枢神经系统中的传播。这导致过度兴奋和全身性癫痫发作。硫酸安杀螨也是一种内分泌干扰物，并在孕酮受体和雌激素受体上充当激动剂。

Endosulfan sulfate antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions. Endosulfan sulfate also inhibits Na+ K+ ATPase and Ca2+ and Mg2+ ATPase which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the CNS. This results in hyperexcitation and generalized seizures. Endosulfan sulfate is also an endocrine disruptor and acts as an agonist at the progesterone receptor and estrogen receptors. (T10, L113, L114, A61, A114)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

A4；不可分类为人类致癌物。/氯丹/

A4; Not classifiable as a human carcinogen. /Endosulfan/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

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

Endosulfan是一种神经毒素，会损害中枢神经系统，导致诸如间歇性肌肉抽搐和肌阵挛性抽动等效应。Endosulfan还会损害肾脏、睾丸和肝脏，并可能影响身体抵抗感染的能力。它也是一种内分泌干扰物，会造成生殖和发育损害。（T10，L113，L114）

Endosulfan is a neurotoxin and damages the central nervous system, causing effects such as intermittent muscle twitching and myoclonic jerking. Endosulfan can also damage the kidneys, testes, and liver, and may possibly affect the body's ability to fight infection. It is also an endocrine disruptor and causes reproductive and developmental damage. (T10, L113, L114)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L114）；吸入（L114）；皮肤给药（L114）

Oral (L114) ; inhalation (L114) ; dermal (L114)

来源:Toxin and Toxin Target Database (T3DB)

吸收、分配和排泄

杀虫剂 ENDSULFAN 被施用于牧草作物上，牛群在施药后七天开始放牧。在青贮饲料和仅一头牛的脂肪中发现了 ENDSULFAN 硫酸盐残留。然而，在喂食了处理过的青贮饲料的奶牛所产的牛奶中没有检测到残留物。

ENDOSULFAN WAS APPLIED TO FORAGE CROPS ON WHICH CATTLE WERE ALLOWED TO GRAZE BEGINNING SEVEN DAYS AFTER APPLICATION. ENDOSULFAN SULFATE WAS FOUND IN THE SILAGE & IN THE FAT OF ONLY ONE ANIMAL. ... NO DETECTABLE RESIDUES WERE FOUND IN THE MILK FROM DAIRY COWS FED THE TREATED SILAGE.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

endo硫酸盐的主要排泄途径是在粪便中。

The principal route of excretion for endosulfan and endosulfan sulfate is in the feces.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  6.1(a)
• 危险品标志：
  T+,T,F,Xn,N
• 安全说明：
  S16,S22,S24/25,S29,S33,S36/37,S45,S60,S61,S62,S7,S9
• 危险类别码：
  R28,R50,R53
• WGK Germany：
  3
• 危险品运输编号：
  UN No 281
• 包装等级：
  II
• 危险类别：
  6.1(a)

制备方法与用途

生物活性

Endosulfan sulfate 是杀虫剂硫丹（Endosulfan）的主要代谢物，广泛用于多种农作物。与母体化合物相比，Endosulfan sulfate 更具毒性和持久性。

体外研究

Endosulfan 研究表明，它由两个立体异构体（α 和 β）组成。

反应信息

• 作为产物：
  描述：

  硫丹 生成 硫丹硫酸酯
  参考文献：
  名称：

  NAQVI, SYED M.;NEWTON, DEBORAH J., J. ENVIRON. SCI. AND HEALTH. B, 25,(1990) N, C. 511-526

  摘要：

  DOI：

文献信息

• [EN] NUCLEOPHILIC ENHANCEMENT OF BETA-ENDOSULFAN IN AN ENDOSULFAN MIX<br/>[FR] AMELIORATION NUCLEOPHILE DE BETA-ENDOSULFAN DANS UN MELANGE D'ENDOSULFANS
  申请人：CROP CARE AUSTRALASIA PTY LTD

  公开号：WO2004103989A1

  公开（公告）日：2004-12-02

  The invention relates to a process for the preparation of endosulfan enriched in the ß-isomer thereof (ß-endosulfan). The invention also provides a process for enriching the ß-isomer content of a mixture of a- and ß-endosulfan, and to processes for obtaining ß-endosulfan in substantially pure form.

  本发明涉及一种制备富含ß-内吸砒的过程（ß-内吸砒）。本发明还提供了一种富集a-和ß-内吸砒混合物中ß-异构体含量的过程，以及获取ß-内吸砒的过程，其形式基本纯净。
• Detection of haptens in immunoassay techniques
  申请人：Research Corporation

  公开号：EP0242589A2

  公开（公告）日：1987-10-28

  The present invention relates to a method of producing monoclonal antibodies capable of being utilized in hapten sandwich assays, and the antibodies produced by this method. It also relates to a method of detecting haptens by utilizing these antibodies in a sandwich assay. Also provided is a method of hapten detection in a nonaqueous sample.

  本发明涉及一种生产可用于杂合体夹心检测的单克隆抗体的方法，以及用该方法生产的抗体。 本发明还涉及一种在夹心检测中利用这些抗体检测杂合体的方法。 本发明还提供了一种在非水样品中检测杂合体的方法。
• Improved solid phase microextraction of trace amounts of organic analytes
  申请人：MALLINCKRODT BAKER, Inc.

  公开号：EP0730143A2

  公开（公告）日：1996-09-04

  A method for enhancing detection sensitivity of suspected trace amounts of organic analytes and particularly semivolatile organic analytes extractable from a sample by an organic solvent carrier matrix and subsequent extraction and analysis of said trace organic analytes by SPME wherein the improvement comprises exchanging the organic solvent carrier matrix containing the trace organic analytes for an aqueous carrier matrix before performing SPME fiber extraction and detection of the trace organic analytes. The diagram, a chromatogram obtained with an ECD detector, illustrates the determination of chlorinated pesticides at the sub-parts per trillion level.

  一种用于提高可通过有机溶剂载体基质从样品中萃取的疑似痕量有机分析物，特别是半挥发性有机分析物的检测灵敏度的方法，以及随后通过 SPME 对所述痕量有机分析物进行萃取和分析的方法，其中的改进包括在进行 SPME 纤维萃取和检测痕量有机分析物之前，将含有痕量有机分析物的有机溶剂载体基质交换为水性载体基质。该图是使用 ECD 检测器获得的色谱图，说明了亚万亿pps 级氯化农药的测定结果。
• Functional mung bean-derived compositions
  申请人：Hampton Creek, Inc.

  公开号：US10321705B2

  公开（公告）日：2019-06-18

  Provided herein are methods for producing a mung bean protein isolate having high functionality for a broad range of food applications. In some embodiments, the methods for producing the isolate comprise one or more steps selected from: (a) extracting one or more mung bean proteins from a mung bean protein source in an aqueous solution, for example, at a pH between about 6.5-10.0; (b) purifying protein from the extract using at least one of two methods: (i) precipitating protein from the extract at a pH near the isoelectric point of a globulin-rich fraction, for example a pH between about 5.0-6.0; and/or (ii) fractionating and concentrating protein from the extract using filtration such as microfiltration, ultrafiltration or ion-exchange chromatography; and (c) recovering purified protein isolate.

  本文提供了生产具有高功能性的绿豆蛋白分离物的方法，可用于广泛的食品应用。在一些实施方案中，生产分离物的方法包括一个或多个步骤，这些步骤选自：(a) 从绿豆蛋白源的水溶液中提取一种或多种绿豆蛋白，例如在 pH 值约为 6.5-10.0之间；(b) 使用以下两种方法中的至少一种从提取物中纯化蛋白质：(i) 在接近富含球蛋白馏分等电点的pH值下，例如在约5.0-6.0之间的pH值下，从提取物中沉淀蛋白质；和/或(ii) 使用过滤法，例如微滤、超滤或离子交换色谱法，从提取物中分馏和浓缩蛋白质；以及(c) 回收纯化的蛋白质分离物。
• Functionalized support for analytical sample preparation
  申请人：Agilent Technologies, Inc.

  公开号：US10436684B2

  公开（公告）日：2019-10-08

  Aspects of the present disclosure include a solid phase sorbent for preparation of analytical samples. The solid phase sorbent includes particles that are surface modified with an α-cyclodextrin moiety. Also provided is a method of reducing matrix effects in an analytical sample. In some embodiments, the method includes contacting a sample comprising a matrix-interfering agent and an analyte with α-cyclodextrin modified particles to produce a contacted sample wherein the matrix-interfering agent binds to the α-cyclodextrin modified particles; separating the α-cyclodextrin modified particles from the contacted sample to produce a matrix-reduced composition; and detecting the analyte in the matrix-reduced composition. Systems for practicing the subject methods are provided that include the subject solid phase sorbent.

  本公开的各个方面包括一种用于制备分析样品的固相吸附剂。固相吸附剂包括用 α-环糊精分子进行表面修饰的颗粒。还提供了一种减少分析样品中基质效应的方法。在一些实施方案中，该方法包括将包含基质干扰剂和分析物的样品与α-环糊精修饰颗粒接触，以产生接触样品，其中基质干扰剂与α-环糊精修饰颗粒结合；从接触样品中分离α-环糊精修饰颗粒，以产生基质还原组合物；以及检测基质还原组合物中的分析物。所提供的用于实施所述方法的系统包括所述固相吸附剂。

表征谱图