[Hydroxy(oxido)phosphoryl] phosphate;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);phosphono dihydrogen phosphate

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: [Hydroxy(oxido)phosphoryl] phosphate;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);phosphono dihydrogen phosphate
• 英文别名: [hydroxy(oxido)phosphoryl] phosphate;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);phosphono dihydrogen phosphate
• 化学式: C18H24Fe4O42P6
• 分子量: 1321.6
• InChiKey: SXAWSYZURCZSDX-UHFFFAOYSA-B

计算性质

• 辛醇/水分配系数(LogP)：
  -22.7
• 重原子数：
  70
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  817
• 氢给体数：
  12
• 氢受体数：
  42

ADMET

代谢

三价磷酸铁的代谢类似于铁通过肠道吸收后进入血液循环的生理过程。这之所以被提出，是因为它具有直接触发铁向转铁蛋白转移的能力，包括转铁蛋白分子之间以及转铁蛋白与铁蛋白之间的转移，而不需要先经过网状内皮系统的代谢。

Metabolism of ferric pyrophosphate resembles physiological processing of iron delivered into circulation after absorption by the gut. This is suggested due to the direct ability to trigger iron transfer to transferrin, between transferrin molecules and between transferrin and ferritin without the need of prior metabolism by the reticuloendothelial system.

来源:DrugBank

毒理性

• 毒性总结

硫酸铁(III)燃烧时在存在代谢激活的情况下，显示出体外染色体畸变试验中的裂解作用。目前尚未发现它具有致突变或影响生育的作用，其致癌潜力也尚未进行研究。

Ferric pyrophosphate was showed to be clastogenic in the in vitro chromosomal aberration assay in presence of metabolic activation. It was not showed to have mutagenic or fertility effects and its carcinogenic potential have not been studied yet.

来源:DrugBank

毒理性

• 蛋白质结合

铁焦磷酸的主要作用部位是在血清中，因此它与目标物质如铁蛋白和血红蛋白高度结合。

The main action site of ferric pyrophosphate is in the serum and thus it is highly bound to its targets such as ferritin and hemoglobin.

来源:DrugBank

吸收、分配和排泄

• 吸收

当前研究的结果显示，三价磷酸铁在成年人中的吸收情况同样良好。铁的吸收取决于摄入途径。三价磷酸铁的生物利用度非常高，为83-94%。当剂量从2.5毫克增加到10毫克时，药代动力学的AUC（曲线下面积）和Cmax（最大浓度）呈现剂量依赖性反应，分别为675-1840微克·小时/分升和113-261微克/分升。达到最大浓度的时间大约为4.5小时。

The results of the present studies show that ferric pyrophosphate is as well absorbed in adults. The absorption of iron depends upon the route of entry. Ferric pyrophosphate has a very high bioavailability of 83-94%. The AUC and Cmax have a dose-dependent pharmacokinetic response, being of 675-1840 mcg.h/dL and 113-261 mcg/dL respectively when given in a dose from 2.5 to 10 mg. The time to reach maximum dose is approximate 4.5 hours.

来源:DrugBank

吸收、分配和排泄

• 消除途径

作为内源性铁经代谢后，焦磷酸铁的排泄遵循相同的模式。在体内，铁被保留，在没有出血的情况下，排泄非常少。大部分铁在小肠被吸收，不会到达粪便中。铁的排泄可以通过尿液、粪便、汗液、头发和指甲进行。

After metabolism as endogenous iron, the excretion of ferric pyrophosphate follows the same pattern. In the body, iron is retained and in the absence of bleeding the excretion is very small. Most of the iron is absorbed in the gut and does not reach the feces. The excretion of iron can be done in urine, feces, sweat, hair, and nails.

来源:DrugBank

吸收、分配和排泄

• 分布容积

静脉给药4小时后，焦磷酸铁的表观分布体积范围从0.765到0.859升。

The apparent volume of distribution of ferric pyrophosphate after 4 hours of intravenous administration ranged from 0.765 to 0.859 L.

来源:DrugBank

吸收、分配和排泄

• 清除

焦磷酸铁的平均清除率可以在0.406到0.556升/小时之间。

The mean clearance rate of ferric pyrophosphate can range between 0.406 to 0.556 L/hour.

来源:DrugBank