Fumitremorgin B | 12626-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Fumitremorgin B
• 英文别名: 5a,6-dihydroxy-9-methoxy-11-(3-methyl-but-2-enyl)-12-(2-methyl-propenyl)-1,2,3,5a,6,11,12,14a-octahydro-pyrrolo[1'',2'':4',5']pyrazino[2',1':1,6]pyrido[3,4-b]indole-5,14-dione；5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5aR,6S,12S,14aS)-；1,2-dihydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
• CAS: 12626-17-4
• 化学式: C₂₇H₃₃N₃O₅
• 分子量: 479.576
• InChiKey: WEIYXEFMCIRZHC-UHFFFAOYSA-N

物化性质

• 熔点：
  205-207 °C
• 沸点：
  724.3±60.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO：可溶，甲醇：可溶
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  5

ADMET

毒理性

• 毒性总结

震颤素类真菌毒素通过干扰神经递质的释放来发挥其毒性作用，可能是通过导致神经末梢的变性。它们被认为可以抑制γ-氨基丁酸（GABA）受体，包括突触前和突触后的，同时还可以抑制GABA-T受体上的递质分解。这最初会增加神经递质的水平，增强GABA诱导的氯离子电流，然后导致突触中神经递质水平的降低。

Tremorgenic mycotoxins exert their toxic effects by interfering with neurotransmitter release, possibly by causing degeneration of nerve terminals. They are thought to inhibit gamma-aminobutyric acid (GABA) receptors, both pre- and postsynaptic, as well as inhibit transmitter breakdown at the GABA-T receptors. This would initially increase neurotransmitter levels, potentiating the GABA-induced chloride current, then lead to decreased levels of neurotransmitter in the synapse. (A2974, A2975, A2976)

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

震颤素类真菌毒素影响中枢神经系统活动。它们会导致牛出现一种称为“踉跄综合症”的神经系统疾病。富米特雷莫金B也具有基因毒性，并能引起DNA损伤。

Tremorgenic mycotoxins affect central nervous system activity. They cause a neurological disease of cattle known as "staggers syndrome". Fumitremorgin B is also genotoxic and causes DNA damage. (A2976, A3026)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服、皮肤、吸入和 parenteral（被污染的药物）。 (A3101)

Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

震颤素类真菌毒素影响中枢神经系统活动，引起包括精神混乱、瘫痪、震颤、惊厥和死亡在内的神经症状。它们会导致牛患有一种被称为“摇摆综合症”的神经疾病，其特征是肌肉震颤和过度兴奋。

Tremorgenic mycotoxins affect central nervous system activity, inducing neurologic symptoms including mental confusion, paralysis, tremors, seizures, and death. They cause a neurological disease of cattle known as "staggers syndrome", which is characterized by muscle tremors and hyperexcitability. (A2976)

来源:Toxin and Toxin Target Database (T3DB)