(1R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester | 79538-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester
• 英文别名: (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
• CAS: 79538-32-2
• 化学式: C₁₇H₁₄ClF₇O₂
• 分子量: 418.7
• InChiKey: ZFHGXWPMULPQSE-GPCIZFCYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  9

ADMET

代谢

在大鼠脂肪的研究中，一半的放射性残留物可以归因于母体，其余的残留物是由羟基化母体代谢物的脂肪酸酯的混合物组成。

In a study with rat fat, half of the radioactive residues could be attributed to the parent and the remaining residues consisted of a mixture of fatty acid esters of hydroxylated parent metabolites.

来源:Hazardous Substances Data Bank (HSDB)

代谢

物种对拟除虫菊酯类酯类毒性的敏感性似乎高度依赖于组织酯酶的性质、检测到的活动水平、底物特异性以及目标和非目标物种中遇到的水解速率。几乎所有物种的组织中发现的微粒体单加氧酶系统在哺乳动物中广泛参与每一种拟除虫菊酯酯的解毒，在昆虫和鱼类物种中也参与其中一些药物的解毒。/拟除虫菊酯酯/

Species susceptibility to pyrethroid ester toxicity would appear to be highly dependent on the nature of the tissue esterase, the level of activity detected, the substrate specificity, and rate of hydrolysis encountered in target and nontarget species. The microsomal monoxygenase system found in the tissues of almost all species is extensively involved in the detoxification of every pyrethroid ester in mammals and of some of these agents in insect and fish species. /Pyrethroid esters/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

癌症分类：尚未评估

Cancer Classification: Not Yet Evaluated

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

...许多能够抑制组织酯酶的有机磷酯会增加多种物种对拟除虫菊酯酯类毒性的敏感性。/拟除虫菊酯酯类/

...Many organophosphorus esters that are capable of inhibiting tissue esterases potentiate pyrethroid ester toxicity in a variety of species. /Pyrethroid esters/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

皮肤去污。立即用肥皂和水清洗皮肤... 如果出现刺激或感觉异常效应，应通过医生获得治疗。由于拟除虫菊酯的挥发显然是导致面部感觉异常的原因，应采取强烈措施（通风、保护面罩和头罩）以避免蒸汽接触面部和眼睛。维生素E油制剂（dL-α-生育酚醋酸酯）在预防和停止感觉异常反应方面具有独特效果。它们适用于现场条件下的皮肤应用。玉米油也有一定效果，但可能的副作用使得长期使用不太合适。凡士林的效果不如玉米油。氧化锌实际上会加剧反应。/拟除虫菊酯/

Skin decontamination. Wash skin promptly with soap and water... . If irritant or paresthetic effects occur, obtain treatment by a physician. Because volatilization of pyrethroids apparently accounts for paresthesia affecting the face, strenuous measures should be taken (ventilation, protective face mask and hood) to avoid vapor contact with the face and eyes. Vitamin E oil preparations (dL-alpha tocopheryl acetate) are uniquely effective in preventing and stopping the paresthetic reaction. They are safe for application to the skin under field conditions. Corn oil is somewhat effective, but possible side effects with continuing use make it less suitable. Vaseline is less effective than corn oil. Zinc oxide actually worsens the reaction. /Pyrethroids/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

眼睛污染。一些拟除虫菊酯化合物可能对眼睛非常腐蚀。应采取特殊措施以避免眼睛污染。眼睛应立即通过大量清水或生理盐水长时间冲洗来处理。如果刺激持续，应获得专业眼科护理。/拟除虫菊酯/

Eye contamination. Some pyrethroid compounds can be very corrosive to the eyes. Extraordinary measures should be taken to avoid eye contamination. The eye should be treated immediately by prolonged flushing of the eye with copious amounts of clean water or saline. If irritation persists, obtain professional ophthalmologic care. /Pyrethroids/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

如果摄入大量拟除虫菊酯，尤其是氰基拟除虫菊酯，并且患者在接触后不久就被看到，考虑进行胃肠道净化...根据实验室动物和人类的观察，大量摄入丙烯菊酯、顺式甲菊酯、氟虫腈、苯醚菊酯或溴氰菊酯最有可能产生神经毒性表现。如果仅摄入少量拟除虫菊酯，或者如果治疗已经延迟，口服活性炭和泻药可能是最佳管理方法。如果患者有腹泻或肠梗阻，不要给泻药。/拟除虫菊酯/

Gastrointestinal decontamination. If large amounts of pyrethroids, especially the cyano-pyrethroids, have been ingested and the patient is seen soon after exposure, consider gastrointestinal decontamination... . Based on observations in laboratory animals and humans, large ingestions of allethrin, cismethrin, fluvalinate, fenvalerate, or deltamethrin would be the most likely to generate neurotoxic manifestations. If only small amounts of pyrethroid have been ingested, or if treatment has been delayed, oral administration of activated charcoal and cathartic probably represents optimal management. Do not give cathartic if patient has diarrhea or an ileus. /Pyrethroids/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在大鼠和狗中，当给予1或10毫克/千克的剂量时，大部分放射性物质未改变地出现在粪便中，而大多数尿代谢物是结合形式的。在大鼠和狗中，大约30%的给药剂量被吸收并通过尿液排出。在大鼠和狗中，单次剂量在48小时内排出，其中50-65%通过粪便，20-30%通过尿液。在大鼠中，胆汁瘘管实验表明，粪便中测得的放射性可能部分是由于胆汁排出。研究还表明，氧化作用发生在酯体裂解之前。

In both rats and dogs, when given either 1 or 10 mg/kg, most of the radioactivity was found in the feces unchanged and most urinary metabolites were conjugated. Approximately 30% of the administered dose was absorbed and excreted in the urine in both species. Single doses in both rats and dogs were excreted within 48 hours, 50-65% in feces and 20-30% in the urine. In rats, a biliary fistula experiment suggested that the radioactivity measured in the feces may be partially due to biliary excretion. Studies also suggest that oxidation precedes the ester body cleavage.

来源:Hazardous Substances Data Bank (HSDB)

文献信息

• [EN] ACC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE L'ACC ET UTILISATIONS ASSOCIÉES
  申请人：GILEAD APOLLO LLC

  公开号：WO2017075056A1

  公开（公告）日：2017-05-04

  The present invention provides compounds I and II useful as inhibitors of Acetyl CoA Carboxylase (ACC), compositions thereof, and methods of using the same.

  本发明提供了化合物I和II，这些化合物可用作乙酰辅酶A羧化酶（ACC）的抑制剂，以及它们的组合物和使用方法。
• [EN] BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS<br/>[FR] COMPOSÉS ISOTHIAZOLINE SUBSTITUÉS PAR UN BICYCLYLE
  申请人：BASF SE

  公开号：WO2014206910A1

  公开（公告）日：2014-12-31

  The present invention relates to bicyclyl-substituted isothiazoline compounds of formula (I) wherein the variables are as defined in the claims and description. The compounds are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及公式（I）中变量如索权和说明中所定义的自行车基取代异噻唑啉化合物。这些化合物对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫方面具有用途。该发明还涉及一种通过使用这些化合物来控制无脊椎动物害虫的方法，以及包含所述化合物的植物繁殖材料、农业和兽医组合物。
• [EN] AZOLINE COMPOUNDS<br/>[FR] COMPOSÉS AZOLINE
  申请人：BASF SE

  公开号：WO2015128358A1

  公开（公告）日：2015-09-03

  The present invention relates to azoline compounds of formula (I) wherein A, B1, B2, B3, G1, G2, X1, R1, R3a, R3b, Rg1 and Rg2 are as defined in the claims and the description. The compounds are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及式（I）的噁唑啉化合物，其中A、B1、B2、B3、G1、G2、X1、R1、R3a、R3b、Rg1和Rg2如权利要求和描述中所定义。这些化合物对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫方面具有用途。该发明还涉及一种利用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料、农业和兽医组合物。
• [EN] MICROBIOCIDAL OXADIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXADIAZOLE MICROBIOCIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2017157962A1

  公开（公告）日：2017-09-21

  Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially fungicides.

  式(I)的化合物，其中取代基如权利要求1所定义，作为杀虫剂特别是杀菌剂有用。
• Thieno-pyrimidine compounds having fungicidal activity
  申请人：Brewster Kirkland William

  公开号：US20070093498A1

  公开（公告）日：2007-04-26

  The present invention relates to thieno[2,3-d]-pyrimidine compounds having fungicidal activity.

  本发明涉及具有杀真菌活性的噻吩[2,3-d]-嘧啶化合物。