(1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: (1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
• 英文别名: (1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
• 化学式: C₉H₆Cl₆O₃S
• 分子量: 406.9
• InChiKey: RDYMFSUJUZBWLH-VQDHCCOSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 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：
  54.7
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

杀虫剂可以通过吸入、口服和皮肤接触进入人体。它主要积累在肝脏、肾脏和大脑中，并通过细胞色素P-450酶代谢为极性和非极性代谢物。杀虫剂及其包括硫酸盐、二醇、α-羟基醚、内酯和杀虫剂醚衍生物在内的代谢物，通过尿液和粪便排出体外。

Endosulfan is absorbed by inhalation, oral, and dermal routes of exposure. It accumulates mainly in the liver, kidney, and brain, and is metabolized to polar and nonpolar metabolites by cytochrome P-450 enzymes. 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

内吸硫磷拮抗神经递质γ-氨基丁酸（GABA）在GABA-A受体上的作用，有效地阻断了GABA诱导的氯离子摄取。内吸硫磷还抑制了Na+ K+ ATPase和Ca2+和Mg2+ ATPase，这些对于钙离子跨膜运输至关重要。这导致细胞内自由钙离子的积累，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。这会导致过度兴奋和全身性癫痫发作。内吸硫磷也是一种内分泌干扰物，在孕酮受体和雌激素受体上充当激动剂。

Endosulfan 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 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 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

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症状。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)

毒理性

• 症状

内吸磷中毒的症状包括过度活跃、反射亢进、震颤、眩晕、头痛、抽搐、协调性差、蹒跚、呼吸困难、恶心呕吐、腹泻，严重情况下可能导致昏迷。

Symptoms of endosulfan poisoning include hyperactivity, hyperreflexia, tremors, dizziness, headache, convulsions, lack of coordination, staggering, difficulty breathing, nausea and vomiting, diarrhea, and in severe cases, unconsciousness. (T10, L113, L114)

来源:Toxin and Toxin Target Database (T3DB)

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML)
  申请人：Biogen MA Inc.

  公开号：EP3025714A1

  公开（公告）日：2016-06-01

  The invention relates to compositions, methods, and kits for treating subjects infected by or at risk of infection with a DNA virus (e.g., a JC Virus or a BK virus). Aspects of the invention are useful to prevent or treat DNA virus associated conditions (e.g., PML) in subjects that are immunocompromised. Compositions are provided that inhibit intracellular replication of DNA viruses.

  本发明涉及治疗受 DNA 病毒（如 JC 病毒或 BK 病毒）感染或有感染风险的受试者的组合物、方法和试剂盒。本发明的各个方面可用于预防或治疗免疫功能低下的受试者与 DNA 病毒相关的病症（如 PML）。本发明提供了抑制 DNA 病毒细胞内复制的组合物。
• Electronic ID database and detection method for pesticide compounds in edible Agro-products based on GC-Q-Orbitrap
  申请人：CHINESE ACADEMY OF INSPECTION AND QUARANTINE

  公开号：US11181512B2

  公开（公告）日：2021-11-23

  Disclosed is an electronic ID database and detection method for pesticide compounds in edible agro-products based on GC-Q-Orbitrap. The electronic ID database includes a collection of various pesticide compounds electronic ID information and is sorted according to retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, mass spectrum, fragment ions information and intelligent matching value. The detection method includes sample pretreatment procedures, setting GC-Q-Orbitrap operating conditions and screening procedures for pesticide residues in samples, wherein setting GC-Q-Orbitrap operating conditions includes setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find out pesticide compounds in electronic ID database. If there is a match, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is less than threshold value, the result is recorded and displayed, and the screening is completed.

  本发明公开了一种基于 GC-Q-Orbitrap 的食用农产品中农药化合物电子 ID 数据库和检测方法。电子标识数据库包括各种农药化合物电子标识信息的集合，并根据电子标识中的保留时间进行排序。电子 ID 包含农药化合物信息、保留时间、质谱、碎片离子信息和智能匹配值。检测方法包括样品前处理程序、GC-Q-Orbitrap 操作条件设置和样品中农药残留筛选程序，其中 GC-Q-Orbitrap 操作条件设置包括设置合适的色谱和质谱条件。在农药残留筛选程序中，首先利用保留时间在电子 ID 数据库中查找农药化合物。如果匹配，则提取相应的电子 ID 信息。然后比较智能匹配值，如果小于阈值，则记录并显示结果，完成筛选。
• Methods and compositions for increasing the efficacy of biologically-active ingredients
  申请人：Windsor Brian J.

  公开号：US20060276339A1

  公开（公告）日：2006-12-07

  The invention provides methods and compositions for modulating the sensitivity of cells to cytotoxic compounds and other active agents. In accordance with the invention, compositions are provided comprising combinations of ectophosphatase inhibitors and active agents. Active agents include antibiotics, fungicides, herbicides, insecticides, chemotherapeutic agents, and plant growth regulators. By increasing the efficacy of active agents, the invention allows use of compositions with lowered concentrations of active ingredients.
• ELECTRONIC ID DATABASE AND DETECTION METHOD FOR PESTICIDE COMPOUNDS IN EDIBLE AGRO-PRODUCTS BASED ON GC-Q-ORBITRAP
  申请人：CHINESE ACADEMY OF INSPECTION AND QUARANTINE

  公开号：US20210285921A1

  公开（公告）日：2021-09-16

  Disclosed is an electronic ID database and detection method for pesticide compounds in edible agro-products based on GC-Q-Orbitrap. The electronic ID database includes a collection of various pesticide compounds electronic ID information and is sorted according to retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, mass spectrum, fragment ions information and intelligent matching value. The detection method includes sample pre-treatment procedures, setting GC-Q-Orbitrap operating conditions and screening procedures for pesticide residues in samples, wherein setting GC-Q-Orbitrap operating conditions includes setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find out pesticide compounds in electronic ID database. If there is a match, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is less than threshold value, the result is recorded and displayed, and the screening is completed.
• US9233107B2
  申请人：——

  公开号：US9233107B2

  公开（公告）日：2016-01-12