sodium 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: sodium 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
• 英文别名: disodium;2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
• 化学式: C20H19N5Na2O6
• 分子量: 471.4
• InChiKey: NYDXNILOWQXUOF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -6.88
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  197
• 氢给体数：
  4
• 氢受体数：
  9

ADMET

毒理性

• 肝毒性

培美曲塞治疗与血清酶水平低至中等程度的升高有关，但这些通常都是轻微的、短暂的，并且不伴有症状或黄疸。血清ALT或AST升高超过5倍ULN的患者比例为1%至6%，但通常病程自限，很少需要调整剂量或停药。没有报告因培美曲塞引起的临床上明显的急性肝损伤的案例。此外，培美曲塞并未与肝窦阻塞综合征或乙型肝炎的复发有关联，但它在高剂量的恶性肿瘤治疗或骨髓移植预处理方案中很少使用，而这些情况下其他抗肿瘤药物常与这些并发症有关。

Pemetrexed therapy is associated with a low-to-moderate rate of serum enzyme elevations, but these are generally mild, transient and without accompanying symptoms or jaundice. Serum ALT or AST elevations above 5 times ULN occur in 1% to 6% of patients, but are usually self-limited in course and rarely require dose modification or discontinuation. No instances of clinically apparent acute liver injury attributed to pemetrexed have been reported. In addition, pemetrexed has not been linked to sinusoidal obstruction syndrome or to reactivation of hepatitis B, but it is rarely used in high doses in neoplastic disease or in conditioning regimens for bone marrow transplantation, situations in which other neoplastic agents are commonly associated with these complications.

来源:LiverTox