Heptachlor epoxide | 690268-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: Heptachlor epoxide
• 英文别名: Heptachlorepoxid；trans-Heptachlorepoxide；cis-Heptachlorepoxide；1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
• CAS: 690268-62-3
• 化学式: C₁₀H₅Cl₇O
• 分子量: 389.32
• InChiKey: ZXFXBSWRVIQKOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

代谢

... 从喂食10毫克/千克体重七氯环氧物30天的大鼠中分离出一种粪代谢物（1-羟基-2,3-环氧氯丹的一种脱氢衍生物）。

... FECAL METABOLITE (A DEHYDROGENATED DERIVATIVE OF 1-HYDROXY-2,3-EPOXYCHLORDENE) WAS ISOLATED FROM RATS FED 10 MG/KG DIET HEPTACHLOR EPOXIDE FOR 30 DAYS.

来源:Hazardous Substances Data Bank (HSDB)

代谢

七氯环氧化的脱氯化反应，随后进行羟基化以及双键重排，导致形成代谢物，这是主要形式...通过粪便排出。

DEHYDROCHLORINATION OF HEPTACHLOR EPOXIDE, FOLLOWED BY HYDROXYLATION & DOUBLE-BOND REARRANGEMENT, LEADS TO FORMATION OF METABOLITE WHICH IS THE PRINCIPAL FORM ... EXCRETED IN FECES.

来源:Hazardous Substances Data Bank (HSDB)

代谢

一个3天的水生系统被用来评估七氯环氧化的吸收与生物转化。水样表明迅速形成1-羟基氯丹及其环氧物以及来自螺（Physa和Oedogonium）、蚊子（Culex）和鱼（Gambusia）的一种极性代谢物。

A 3-DAY AQUATIC SYSTEM WAS USED TO EVALUATE UPTAKE & BIOTRANSFORMATION OF HEPTACHLOR EPOXIDE. WATER SAMPLES INDICATED RAPID FORMATION (APPROX 24 HR) OF 1-HYDROXYCHLORDENE & ITS EPOXIDE PLUS A POLAR METABOLITE FROM SNAIL (PHYSA & OEDOGONIUM), MOSQUITO (CULEX) & FISH (GAMBUSIA).

来源:Hazardous Substances Data Bank (HSDB)

代谢

培养诺卡氏菌的肉汤使其代谢纯顺式或反式氯丹至少转化为8种可溶于溶剂的物质，包括七氯环氧醚。

GROWING BROTH CULTURES OF NOCARDIOSIS METABOLIZED PURE CIS- OR TRANS-CHLORDANE TO AT LEAST 8 SOLVENT-SOLUBLE SUBSTANCES INCLUDING HEPTACHLOR ENDO-EPOXIDE.

来源:Hazardous Substances Data Bank (HSDB)

代谢

环氧七氯可轻易通过皮肤、肺和胃肠吸收，并通过尿液和粪便排出体外。

Heptachlor epoxide is readily absorbed by the skin, lungs and gastrointestinal tract and excreted in the urine and faeces. (L118)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

环氧七氯是一种中枢神经系统兴奋剂。它通过非竞争性地阻断γ-氨基丁酸受体的神经递质作用，导致神经系统过度兴奋。环氧七氯还被认为是通过激活信号通路中的关键激酶并抑制凋亡来发挥致癌作用的。

Heptachlor epoxide is a central nervous system stimulant. It non-competitively blocks neurotransmitter action at gamma-amino butyric acid receptors, resulting in overstimulation of the nervous system. Heptachlor epoxide is also believed to exert carcinogenic effects by activating key kinases in signalling pathways and inhibiting apoptosis. (L118, A81, A82)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

癌症分类：B2组可能的人类致癌物

Cancer Classification: Group B2 Probable Human Carcinogen

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

分类：B2；可能的人类致癌物。分类依据：有充分的证据来自啮齿动物研究，其中两种性别的小鼠和CFN雌性大鼠中诱发了肝癌。几种结构上相关的化合物是肝脏致癌物。人类致癌性数据：不足。动物致癌性数据：充分。/七氯/

CLASSIFICATION: B2; probable human carcinogen. BASIS FOR CLASSIFICATION: Sufficient evidence exists from rodent studies in which liver carcinomas were induced in two strains of mice of both sexes and in CFN female rats. Several structurally related compounds are liver carcinogens. HUMAN CARCINOGENICITY DATA: Inadequate. ANIMAL CARCINOGENICITY DATA: Sufficient. /Heptachlor/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

不足证据显示对人类具有致癌性。有限证据显示对动物具有致癌性。总体评估：第3组：该物质对人类致癌性无法分类。/七氯/

Inadequate evidence of carcinogenicity in humans. Limited evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans. /Heptachlor/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A3; 已确认的动物致癌物，对人类的相关性未知。

A3; Confirmed animal carcinogen with unknown relevance to humans.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

喂食了30毫克/千克七氯的大鼠在2到4周内脂肪中的七氯氧化物浓度达到最大；在暴露12周后……停止喂食，七氯氧化物已完全从脂肪组织中消失。

RATS FED 30 MG/KG HEPTACHLOR HAD MAXIMUM CONCN OF HEPTACHLOR EPOXIDE IN FAT WITHIN 2-4 WEEKS; 12 WEEKS AFTER EXPOSURE ... DISCONTINUED, HEPTACHLOR EPOXIDE HAD COMPLETELY DISAPPEARED FROM ADIPOSE TISSUE.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

主要排泄途径是胆汁，尽管几乎所有有机氯化合物都会产生可测量的尿液代谢物。许多未经代谢的杀虫剂被肠道有效重吸收（肠肝循环），从而大大减缓了粪便排泄。/固体有机氯杀虫剂/

The chief route of excretion is biliary, although nearly all organochlorines yield measurable urinary metabolites. ... Many of the unmetabolized pesticides are efficiently reabsorbed by the intestine (enterohepatic ciruclation) substantially retarding fecal excretion. /Solid organochlorine insecticides/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

"七氯可以通过皮肤、肺和胃肠道吸收。在大鼠体内，七氯会代谢为七氯环氧物。七氯环氧物也是七氯在其他动物、植物和微生物中的氧化产物，但并非所有七氯都会转化为环氧物，这种环氧物比其母体化合物更具毒性且更稳定。"

HEPTACHLOR CAN BE ABSORBED THROUGH SKIN & VIA LUNG & GASTROENTERIC TRACT. IN RAT, HEPTACHLOR IS METABOLIZED TO HEPTACHLOR EPOXIDE. HEPTACHLOR EPOXIDE IS ALSO THE OXIDATION PRODUCT OF HEPTACHLOR IN OTHER ANIMALS, AS WELL AS IN PLANTS & MICROORGANISMS, BUT NOT ALL HEPTACHLOR IS CONVERTED TO THE EPOXIDE, WHICH IS MORE TOXIC & MORE STABLE THAN THE PARENT COMPOUND.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

环氧七氯在死产婴儿的血液和脂肪中被发现，这表明它可以通过胎盘转移到胎儿。它也通过人乳排出。

HEPTACHLOR EPOXIDE IS ... FOUND IN BLOOD & FAT OF STILLBORN INFANTS, INDICATING TRANSPLACENTAL TRANSFER TO THE FETUS. IT IS ALSO EXCRETED IN HUMAN MILK.

来源:Hazardous Substances Data Bank (HSDB)

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。
• Instruments for detecting low-molecular weight substance
  申请人：Mizukami Haruki

  公开号：US20050148097A1

  公开（公告）日：2005-07-07

  To provide the following instruments 1 and 2 as a low-molecular-weight substance detection instrument employing immunochromatography capable of detecting conveniently and sensitively detecting a low-molecular weight substance such as an environmental pollutant (e.g., a dioxin), as a target substance contained in a test sample: 1. an instrument, which comprises 1) a test sample application section with which a test sample is brought into contact; 2) a label product reaction section containing a label product containing, as a portion thereof, an antibody capable of binding to a target substance contained in the test sample, the label product being not bound to the reaction section; 3) an unbound label product capturing section containing an element capable of capturing the label product which is not bound to the target substance, the element being bound to the capturing section; and 4) a detection section containing a detection element which, when coming into contact with the target substance bound to the label product, causes a visually observable change, and 2. an instrument wherein a test sample is reacted with a labeled antibody containing, as a portion thereof, an antibody capable of binding to a target substance contained in the test sample, and the resultant reaction product is employed for detecting the target substance contained in the test sample.

  提供以下仪器1和2作为低分子量物质检测仪器，采用免疫层析技术，能够方便敏感地检测低分子量物质，例如环境污染物（例如二恶英），作为测试样品中包含的目标物质：1. 仪器，包括1）测试样品应用部分，用于将测试样品接触；2）标签产物反应部分，包含一种标签产物，其中包含一种能够结合到测试样品中的目标物质的抗体，标签产物未结合到反应部分；3）未结合标签产物捕获部分，包含一种能够捕获未结合到目标物质的标签产物的元素，该元素与捕获部分结合；以及4）检测部分，包含一种检测元素，当与结合到标签产物的目标物质接触时，会引起可视的变化；2. 仪器，其中测试样品与标记抗体反应，其中一部分包含能够结合到测试样品中的目标物质的抗体，产生的反应产物用于检测测试样品中包含的目标物质。
• Analog enrichment decontamination process
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：EP0211546A1

  公开（公告）日：1987-02-25

  Environments contaminated with toxic halogenated organic compounds are decontaminated at an accelerated rate by addition of (1) microorganisms which are non-indigenous to the environment and which metabolize the contaminant at a greater rate than microorganisms indigenous to the environment and (2) a non-toxic analog of the halogenated organic compound.

  在受有毒卤代有机化合物污染的环境中加入以下物质，可加速环境的净化：(1) 非本地环境中的微生物，其代谢污染物的速度高于本地环境中的微生物；(2) 卤代有机化合物的无毒类似物。
• 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。
• PROCESS FOR PURIFYING LANOLINS
  申请人：NIPPON FINE CHEMICAL CO., LTD.

  公开号：EP0392018A1

  公开（公告）日：1990-10-17

  The invention provides a process for purifying raw lanolins containing agricultural chemicals by removing the residual agricultural chemicals therefrom, which comprises subjecting the raw lanolins to at least one of the step (1) of hydrogenation in a molten state or in an organic solvent in the presence of a hydrogenation catalyst at a temperature of 60 to 210° C under a hydrogen pressure of 1 atm or more with a hydrogen consumption of 0.001 to 0.05 wt. % based on the raw lanolin, the step (2) of distillation in vacuo at a temperature of 150 to 280 C under an absolute pressure of 10 to 500 x 10-3 mmHg, and the step (3) of adsorption on a resin selected from among those containing styrene-divinylbenzene as a skeleton, those containing acrylic ester as a skeleton and polystyrene resins and having a micropore size of about 10 to 250 Å or on a crystalline aluminosilicate having an internal diameter of about 9 to 13 A.

  本发明提供了一种通过去除其中残留的农用化学品来纯化含有农用化学品的生羊毛脂的工艺，该工艺包括在氢化催化剂存在下，在熔融状态或在有机溶剂中，于60至210℃的温度下，在1个大气压或更大的氢气压力下，使生羊毛脂进行至少一个步骤(1)的氢化，氢气消耗量为0.001至0.05重量％（基于生羊毛脂）；步骤(2)在150至280℃的温度下，在10至500 x 10-3毫米汞柱的绝对压力下，在真空中蒸馏；以及步骤(3)从生羊毛脂中去除农用化学品。步骤(2)在绝对压力为 10 至 500 x 10-3 mmHg、温度为 150 至 280 摄氏度的条件下在真空中蒸馏，步骤(3)吸附在以苯乙烯-二乙烯基苯为骨架的树脂、以丙烯酸酯为骨架的树脂和聚苯乙烯树脂中的一种树脂上，该树脂的微孔尺寸约为 10 至 250 Å，或吸附在内径约为 9 至 13 A 的结晶铝硅酸盐上。

表征谱图