格孢毒素I | 56258-32-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苝醌类
• 中文名称: 格孢毒素I
• 英文名称: Altertoxin I
• 英文别名: (12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione
• CAS: 56258-32-3
• 化学式: C₂₀H₁₆O₆
• 分子量: 352.3
• InChiKey: GJIALGLHOBXNAT-KPOBHBOGSA-N

物化性质

• 沸点：
  699.8±55.0 °C(Predicted)
• 密度：
  1.694±0.06 g/cm3(Predicted)
• 溶解度：
  二氯甲烷：10mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

ADMET

毒理性

• 毒性总结

Altertoxin-1 已显示出具有基因毒性和诱变性质。它表现出DNA损伤活性，如单链和双链DNA断裂、DNA嵌入和DNA交联，以及诱导DNA修复合成和抑制DNA复制。这些效应至少部分是由于其能够与DNA小沟槽高亲和力结合，这抑制了拓扑异构酶等DNA作用酶的活性。（A2977, A2978, A2979）

Altertoxin-1 has been shown to have genotoxic and mutagenic properties. It has demonstrated DNA-damaging activities such as single-strand and double-strand DNA breaks, DNA-intercalating, and DNA cross-linking, as well as induction of DNA repair synthesis and inhibition of DNA replication. These effects are thought to be at least partially due to its ability to bind to the DNA minor groove with high affinity, which inhibits the activity of DNA-acting enzymes such as topoisomerase. (A2977, A2978, A2979)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

未列在IARC（国际癌症研究机构）的名单上。

Not listed by IARC.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

Altertoxins 已被证明具有毒性、基因毒性、致突变性和致癌性。特别是，它们与人类的食管癌有关。

Altertoxins have been shown to be toxic, genotoxic, mutagenic, and carcinogenic. In particular, they have been associated with esophageal cancer in humans. (A2977, A2979)

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）。

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

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• 危险等级：
  6.1(b)

制备方法与用途

生物活性方面，Altertoxin I（二氢alternapyrenol）是由Alternaria alternata产生的醌类真菌毒素。它具有诱变性和细胞毒性，并且能够轻微干扰代谢通讯。

文献信息

• Altertoxin II as a selective inhibitor of Ewing family of tumor cells
  申请人：Mooberry Susan L

  公开号：US10874631B2

  公开（公告）日：2020-12-29

  Certain embodiments are directed to methods for treating Ewing family tumors (EFT) comprising administering an effective amount of altertoxin II to a subject having EFT.

  某些实施方案涉及治疗尤文家族肿瘤（EFT）的方法，包括向患有EFT的受试者施用有效量的altertoxin II。