1,2,3,4,6,7-六氯二苯并-对-二噁英 | 58200-66-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶英
• 中文名称: 1,2,3,4,6,7-六氯二苯并-对-二噁英
• 中文别名: 1,2,3,4,6,7-六氯二苯并-对-二恶英
• 英文名称: 1,2,3,4,6,7-hexachlorodibenzo-p-dioxin
• 英文别名: 1,2,3,4,7,8-hexachlorodibenzo-p-dioxin；1,2,3,4,6,7-hexachlorodibenzodioxin；1,2,3,4,6,7-H₆CDD；HeCDD 123467；hexachlorodibenzo-p-dioxin
• CAS: 58200-66-1
• 化学式: C₁₂H₂Cl₆O₂
• 分子量: 390.865
• InChiKey: NLBQVWJHLWAFGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

代谢

CDDs通过口服、吸入和皮肤暴露途径被吸收。CDDs通过血清脂质和脂蛋白在血浆中运输，主要分布到肝脏和脂肪组织。CDDs通过微粒体单加氧酶系统非常缓慢地被代谢为极性代谢物，这些代谢物可以与葡萄糖醛酸和谷胱甘肽发生结合反应。它们可能通过诱导I相和II相酶来增加自己的代谢速率。CDDs的主要排泄途径是胆汁和粪便，尽管也有少量通过尿液和哺乳排出。

CDDs are absorbed through oral, inhalation, and dermal routes of exposure. CDDs are carried in the plasma by serum lipids and lipoproteins, distributing mainly to the liver and adipose tissue. CDDs are very slowly metabolized by the microsomal monooxygenase system to polar metabolites that can undergo conjugation with glucuronic acid and glutathione. They may increase the rate of their own metabolism by inducing both phase I and phase II enzymes. The major routes of excretion of CDDs are the bile and the faeces, though smaller amounts are excreted in the urine and via lactation. (L177)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

CDDs通过结合芳基烃受体并随后改变某些基因的转录来产生其毒性作用。对Ah受体的亲和力取决于特定CDD的结构。基因表达的改变可能源于Ah受体及其异二聚体形成伙伴芳基烃受体核移位子的直接相互作用，以及基因调控元件的启动或随后激活其他转录因子的磷酸化/脱磷酸化级联。受影响的基因包括几个癌基因、生长因子、受体、激素和药物代谢酶。这些基因的转录/翻译改变被认为是CDDs大多数毒性作用的原因。

CDDs cause their toxic effects by binding to the aryl hydrocarbon receptor and subsequently altering the transcription of certain genes. The affinity for the Ah receptor depends on the structure of the specific CDD. The change in gene expression may result from the direct interaction of the Ah receptor and its heterodimer-forming partner, the aryl hydrocarbon receptor nuclear translocator, with gene regulatory elements or the initiation of a phosphorylation/dephosphorylation cascade that subsequently activates other transcription factors. The affected genes include several oncogenes, growth factors, receptors, hormones, and drug-metabolizing enzymes. The change in transcription/translation of these genes is believed to be the cause of most of the toxic effects of CDDs. (L177)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

3, 无法归类其对人类致癌性的类别。

3, not classifiable as to its carcinogenicity to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

暴露于大量氯代二苯并二噁烷（CDDs）会引起氯痤疮，这是一种严重的皮肤疾病，其症状类似于粉刺，主要发生在面部和上半身。CDDs还可能引起肝损伤，并导致长期的葡萄糖代谢改变和激素水平的微妙变化。此外，研究表明CDDs可能会破坏内分泌系统，削弱免疫系统，以及造成生殖损害和出生缺陷、中枢和周围神经系统病理变化、甲状腺疾病、子宫内膜异位症和糖尿病。(L177, L178)

Exposure to large amounts of CDDs causes chloracne, a severe skin disease with acne-like lesions that occur mainly on the face and upper body. CDDs may also cause liver damage and induce long-term alterations in glucose metabolism and subtle changes in hormonal levels. In addition, studies have shown that CDDs may disrupt the endocrine system and weaken the immune system, as well as cause reproductive damage and birth defects, central and peripheral nervous system pathology, thyroid disorders, endometriosis, and diabetes. (L177, L178)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L177）；吸入（L177）；皮肤（L177）

Oral (L177) ; inhalation(L177) ; dermal (L177)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

除了氯痤疮，二噁烷暴露还会导致皮肤皮疹、色素沉着和体毛过多。

In addition to chloracne, CDD exposure causes skin rashes, discoloration, and excessive body hair. (L177)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为产物：
  描述：

  2,2',3,3',4,4',5,6-octachlorodiphenyl ether 生成 1,2,3,4,6,7-六氯二苯并-对-二噁英
  参考文献：
  名称：

  LINDAHL R.; RAPPE C.; BUSER H. R., CHEMOSPHERE, 1980, 9, NO 5-6, 351-361

  摘要：

  DOI：

文献信息

• [EN] PFKFB3 INHIBITORS AND THEIR USES<br/>[FR] INHIBITEURS DE PFKFB3 ET LEURS UTILISATIONS
  申请人：GERO DISCOVERY LLC

  公开号：WO2020080979A1

  公开（公告）日：2020-04-23

  This disclosure relates to new phthalimide and isoindolinone derivatives and other PFKFB3 inhibitors for use in the treatment of diseases. The invention further relates to pharmaceutical compositions containing such PFKFB3 inhibitors, methods of preparation thereof, methods for their use as therapeutic agents, and methods of preparation of a medicament for use in therapy, as well as kits and other inventiions comprising such PFKFB3 inhibitors. These PFKFB3 inhibitors are useful for the treatment and prophylaxis of cancer, neurodegenerative diseases, autoimmune diseases, inflammatory disorders, multiple sclerosis, metabolic diseases, inhibition of angiogenesis and other diseases and conditions, where the modulation of PFKFB3 and/or PFKFB4 has beneficial effect as well as neuroprotection.

  这项披露涉及新的邻苯二甲酰亚胺和异吲哚酮衍生物以及其他PFKFB3抑制剂，用于治疗疾病。该发明还涉及含有此类PFKFB3抑制剂的药物组合物，其制备方法，作为治疗剂的使用方法，以及用于治疗的药物的制备方法，以及包含此类PFKFB3抑制剂的工具包和其他发明。这些PFKFB3抑制剂对于治疗和预防癌症、神经退行性疾病、自身免疫疾病、炎症性疾病、多发性硬化症、代谢性疾病、抑制血管生成以及其他疾病和情况具有用途，在这些情况下，PFKFB3和/或PFKFB4的调节具有益处，以及神经保护作用。
• Process for the decomposition and decontamination of organic substances and halogenated toxic materials
  申请人：SEA MARCONI DECONTAMINATION S.r.l.

  公开号：EP0118858A1

  公开（公告）日：1984-09-19

  A method for the decomposition of an halogenated organic compound is described which comprises reacting the compound with a reagent which consists of a) at least one member which is a polyethyleneglycol, Nixolen (R), an alcohol or a polyhydroxy compound, b) a base, and c) an oxidizing agent or a source of radicals, in the absence of oxygen. The method is applicable to the decontamination of mineral oils and soil contaminated with polychlorobiphenyls, polychlorodibenzofurans, polychlorodibenzo- dioxins, DDT and other halogenated organic compounds. The different possible formulations of such reagents allow the preparation of stable reactive mixture, which can be either liquid or solid; the liquid reagents are particularly suitable for the decontamination of porous surfaces such as cement, gres, asphalt and for the decontamination of parts of plants contaminated by PCBs. The use of microwaves during the decontamination process proved to be particularly advantageous.

  本发明描述了一种分解卤代有机化合物的方法，该方法包括在无氧条件下，使该化合物 与试剂反应，试剂包括 a) 至少一种聚乙二醇、Nixolen (R)、醇或多羟基化合物；b) 碱；和 c) 氧化剂或自由基源。该方法适用于被多氯联苯、多氯二苯并呋喃、多氯二苯并二噁英、滴滴涕和其他卤代有机化合物污染的矿物油和土壤的净化。 这些试剂有不同的配方，可以制备出稳定的反应混合物，既可以是液态的，也可以是固态的；液态试剂特别适用于多孔表面（如水泥、石膏、沥青）的净化，也适用于植物受多氯联苯污染部分的净化。 事实证明，在净化过程中使用微波特别有利。
• MOLD CAPABLE OF DEGRADING DIOXIN, DEGRADATION OF DIOXIN WITH THE USE OF THE SAME, METHOD FOR PRODUCING COMPOSTS CAPABLE OF DEGRADING DIOXIN AND METHOD FOR GROWING PLANTS
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP1074611A1

  公开（公告）日：2001-02-07

  The invention provides lignin-degradable fungi capable of degrading dioxins that have accumulated in the soil for farm crops, into harmless substances; a method for degrading dioxins by applying the fungi to a dioxin-containing object to such a degree that the cell concentration in the object reaches at least 1 × 102 cfu per gram of the object; compost containing the fungi; a method for producing compost that comprises a step of thermally fermenting a lignin-containing, plant-derived organic material to be compost, at a temperature falling between 65 and 100°C for at least 2 hours, followed by inoculating the thus-fermented material with lignin degrading enzymes-producing fungi and further fermenting it; and a method of using the compost for cultivating plants.

  本发明提供了可降解木质素的真菌，该真菌能够将农作物土壤中积累的二恶英降解为无害物质；一种降解二恶英的方法，该方法是将真菌施用到含二恶英的物体上，使该物体中的细胞浓度达到每克物体至少 1×102 cfu；含有该真菌的堆肥；一种生产堆肥的方法，该方法包括以下步骤：将含有木质素的植物有机材料在 65 至 100°C 的温度下热发酵至少 2 小时，然后将产生木质素降解酶的真菌接种到发酵材料中并进一步发酵；以及将堆肥用于栽培植物的方法。
• WHITE ROT FUNGUS AND METHOD FOR DEGRADING DIOXINS BY USING THE SAME
  申请人：Wakao Construction Co., Ltd.

  公开号：EP1114680A1

  公开（公告）日：2001-07-11

  White rot fungi capable of decomposing dioxin were screened from rotten wood to isolate the MZ-340 strain. This MZ-340 could be cultured in the Kirk liquid medium (HCLN) or PDB medium. New systems that can be used to decompose dioxins in incineration ash were constructed using this MZ-340 strain. The present invention can decompose dioxins in incineration ash effectively and efficiently in both solid phase systems and liquid phase systems. Thus, the present invention enables the prevention of environmental pollution by dioxins generated during incineration and also the clean up of dioxin pollutants.

  从朽木中筛选出能够分解二恶英的白腐真菌，并分离出 MZ-340 菌株。这种 MZ-340 菌株可在 Kirk 液体培养基（HCLN）或 PDB 培养基中培养。利用该 MZ-340 菌株构建了可用于分解焚烧灰中二恶英的新系统。本发明在固相系统和液相系统中都能有效和高效地分解焚烧灰中的二恶英。因此，本发明可以防止焚烧过程中产生的二恶英对环境造成污染，还可以清除二恶英污染物。
• Label-free method for the detection of analytes
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2752664A1

  公开（公告）日：2014-07-09

  The present invention relates to method for the detection and/or characterization of an analyte based on determining and preferably optical determining the alteration of mechanical deformation of hydrogel particles and kits suitable for this method.

  本发明涉及基于测定（最好是光学测定）水凝胶颗粒机械变形的变化来检测和/或表征分析物的方法，以及适用于该方法的试剂盒。