Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one | 14110-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one
• 英文别名: 3-benzyl-6,7a-dihydroxy-4-methyl-5-methylidene-7-[(E)-4-methyl-7-(5-oxooxolan-2-yl)hept-1-enyl]-2,3,3a,4,6,7-hexahydroisoindol-1-one
• CAS: 14110-71-5
• 化学式: C₂₉H₃₉NO₅
• 分子量: 481.6
• InChiKey: VJQJWFGRYRQFRH-RIYZIHGNSA-N

物化性质

• 熔点：
  192-194 °C
• 沸点：
  669.9±55.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  95.9
• 氢给体数：
  3
• 氢受体数：
  5

ADMET

毒理性

• 毒性总结

细胞松弛素已知能够结合到微丝的尖端，快速生长的正端，从而阻止了单体肌动蛋白从结合端组装和分解。一旦结合，细胞松弛素基本上封住了新的肌动蛋白丝的末端。一个细胞松弛素会结合到一个肌动蛋白丝上。通过阻止肌动蛋白的聚合和延伸，细胞松弛素可以改变细胞形态，抑制诸如细胞分裂等细胞过程，并导致细胞凋亡。（A2910, A2911, L1913）

Cytochalasins are known to bind to the barbed, fast growing plus ends of microfilaments, which then blocks both the assembly and disassembly of individual actin monomers from the bound end. Once bound, cytochalasin essentially caps the end of the new actin filament. One cytochalasin will bind to one actin filament. By blocking the polymerization and elongation of actin, cytochalasins can change cellular morphology, inhibit cellular processes such as cell division, and cause cells to undergo apoptosis. (A2910, A2911, L1913)

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

细胞松弛素的主要生物学效应包括抑制细胞质的分裂、可逆地抑制细胞运动、诱导核挤出、抑制吞噬作用、血小板聚集和血栓收缩、葡萄糖运输、甲状腺分泌以及生长激素的释放等过程。一些细胞松弛素已被证明具有发育效应。

Major biological effects of cytochalasins include inhibition of the division of cytoplasm, reversible inhibition of cell movement, induction of nuclear extrusion, inhibition of such processes as phagocytosis, platelet aggregation and clot retraction, glucose transport, thyroid secretion, and release of growth hormone. Some cytochalasins have been shown to have developmental effects. (L1916)

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

• 暴露处理

考虑到胃肠道吸收后的活性炭。硝普钠推荐用于逆转血管收缩引起的外周缺血和治疗高血压。还推荐使用静脉肝素进行抗凝治疗。(A704)

Consider activated charcoal after gastrointestinal absportion. Nitroprusside is recommended to reverse peripheral ischemia secondary to vasoconstriction and for the treatment of hypertension. Anticoagulant therapy with intravenous heparin is also recommended. (A704)

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• 危险等级：
  6.1(a)
• 包装等级：
  I
• 危险类别：
  6.1(a)
• 危险品运输编号：
  UN 2811