Flucythrinate | 915101-98-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Flucythrinate
• 英文别名: cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate；[cyano-(3-phenoxyphenyl)methyl] (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate
• CAS: 915101-98-3
• 化学式: C₂₆H₂₃F₂NO₄
• 分子量: 451.47
• InChiKey: GBIHOLCMZGAKNG-CGAIIQECSA-N

物化性质

• 沸点：
  545.1±50.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  7

ADMET

代谢

主要代谢途径涉及酯断裂和醇部分对位以及酸部分 gem-二甲基基团的氧化。醇部分带有羟基取代物的代谢物以硫酸盐结合物形式在尿液中排出。还形成了甘氨酸结合物。标记有放射性同位素的醇部分产生了至少29种尿液代谢物，主要代谢物为3-(苯氧基)马尿酸。而标记有放射性同位素的酸部分的主要尿液代谢物是2-[4-(二氟甲氧基)苯基]-3-甲基丁酸，占尿液放射性活性的60%。(L884)

Principal metabolic pathways involved ester cleavage and oxidation at the para position of the alcohol moiety and at the gem-dimethyl groups of the acid moiety. The metabolite with the hydroxyl substitutent in the alcohol moiety was excreted as the sulphate conjugate in urine. A glycine conjugate was also formed. Alcohol radiolabelled flucythrinate yielded at least 29 urinary metabolites, the principal one being 3-(phenoxy)-hippuric acid. With the acid radiolabel the major urinary metabolite was 2-[4-(difluoromethoxy) phenyl]-3-methylbutyric acid, accounting for 60% of urinary radio activity. (L884)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

拟除虫菊酯类农药通过延长神经细胞兴奋时钠通道门的开启相来发挥其作用。它们似乎与钠通道附近的膜脂质相结合，从而改变通道动力学。这阻止了神经中钠通道的关闭，从而延长了膜电位恢复到静息状态的时间。重复的（感觉、运动）神经元放电和延长的负后电位产生的效果与DDT产生的效果非常相似，导致神经系统过度活跃，可能导致瘫痪和/或死亡。拟除虫菊酯类农药的其他作用机制包括对抗γ-氨基丁酸（GABA）介导的抑制作用、调节尼古丁胆碱能传递、增强去甲肾上腺素的释放以及对钙离子的作用。(T18, L857)

Pyrethroids exert their effect by prolonging the open phase of the sodium channel gates when a nerve cell is excited. They appear to bind to the membrane lipid phase in the immediate vicinity of the sodium channel, thus modifying the channel kinetics. This blocks the closing of the sodium gates in the nerves, and thus prolongs the return of the membrane potential to its resting state. The repetitive (sensory, motor) neuronal discharge and a prolonged negative afterpotential produces effects quite similar to those produced by DDT, leading to hyperactivity of the nervous system which can result in paralysis and/or death. Other mechanisms of action of pyrethroids include antagonism of gamma-aminobutyric acid (GABA)-mediated inhibition, modulation of nicotinic cholinergic transmission, enhancement of noradrenaline release, and actions on calcium ions. (T18, L857)

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

在高剂量下，归因于氟虫脒的毒性迹象包括大量流涎和肺水肿，阵挛性惊厥，角弓反张（即脊柱向前弯曲，以至于仰卧的身体靠头部和脚跟支撑），昏迷和死亡。在较低剂量下，常见的影响包括感觉异常和红斑。

At high doses, signs of poisoning attributable to flucythrinate include profuse salivation and pulmonary edema, clonic seizures, opisthotonos (i.e., the spine is bent forward such that a supine body rests on its head and heels), coma, and death. At lower doses, commonly observed effects include paresthesia and erythema. (L863)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

吸入（L857）；口服（L857）；皮肤接触（L857）；眼睛接触（L857）。

Inhalation (L857) ; oral (L857) ; dermal (L857) ; eye contact (L857).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

接触氟环嗪后，可能会出现麻木、瘙痒、灼热、刺痛、刺痛或温暖的感觉，这些感觉可能持续几个小时。吸入或摄入大量氟环嗪可能导致头晕、头痛、恶心、肌肉抽搐、体力下降和意识改变。暴露后可能会出现瘫痪。(L857)

Following dermal exposure to flucythrinate, feelings of numbness, itching, burning, stinging, tingling, or warmth may occur, that could last for a few hours. Dizziness, headache, nausea, muscle twitching, reduced energy, and changes in awareness can result from inhalation or ingestion of large amounts of flucythrinate. Paralysis can occur after exposure. (L857)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  Flucythrinate 生成 [(R)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate
  参考文献：
  名称：

  SUZUKI, YUKIO;HIRANO, MASACHIKA;AKETA, KOICHI

  摘要：

  DOI：

文献信息

• [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。
• [EN] INSECTICIDAL TRIAZINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE TRIAZINONE INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013079350A1

  公开（公告）日：2013-06-06

  Compounds of the formula (I) or (I'), wherein the substituents are as defined in claim 1, are useful as pesticides.

  式(I)或(I')的化合物，其中取代基如权利要求1所定义的那样，可用作杀虫剂。