Indigotindisulfonic acid | 483-20-5

• 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: Indigotindisulfonic acid
• 英文别名: 2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acid
• CAS: 483-20-5
• 化学式: C₁₆H₁₀N₂O₈S₂
• 分子量: 422.4
• InChiKey: JMEVHYCNAPFOAB-UHFFFAOYSA-N

物化性质

• 溶解度：
  1g/100ml

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  191
• 氢给体数：
  4
• 氢受体数：
  9

ADMET

代谢

靛蓝二磺酸钠主要通过初级代谢途径进行氧化。在大鼠体内进行的一项研究发现，靛蓝二磺酸钠（FD&C蓝No. 2）的分解产生了两种产物：靛红-5-磺酸和5-磺酸邻氨基苯甲酸。尚未进行评估靛蓝二磺酸钠代谢产物的临床研究。

Indigotindisulfonate sodium is mainly oxidized via primary metabolic pathways. An _in vivo_ study done in rats showed that the breakdown of indigotindisulfonate sodium (FD&C Blue No. 2) generated two products: isatin-5-sulphonic acid and 5-sulphoanthranilic acid. Clinical studies evaluating indigotindisulfonate sodium metabolism products have not been performed.

来源:DrugBank

毒理性

• 蛋白质结合

靛蓝二磺酸钠的体外蛋白结合率大约为90%。

The protein binding of indigotindisulfonate sodium _in vitro_ is approximately 90%.

来源:DrugBank

吸收、分配和排泄

• 吸收

在健康的成年人中，给予5毫升的靛蓝二磺酸钠（靛蓝二磺酸的盐形式）后，其Cmax和AUC0-INF分别为6.33微克/毫升和1.15微克·小时/毫升。尚未对肾脏损害患者进行靛蓝二磺酸钠静脉给药的药代动力学特性研究。根据随机临床试验的亚组分析，轻度至中度肾脏损害或估算的肾小球滤过率（eGFR）为30至89毫升/分钟的患者不需要调整剂量。不建议eGFR低于30毫升/分钟的患者使用靛蓝二磺酸钠。

In healthy adults given 5 ml of indigotindisulfonate sodium (salt form of indigotindisulfonic acid), the Cmax and AUC0-INF were 6.33 μg/mL and 1.15 μg·h/mL, respectively. Studies evaluating the pharmacokinetic properties of intravenous indigotindisulfonate sodium in patients with renal impairment have not been performed. Based on subgroup analyses in a randomized clinical trial, patients with mild to moderate renal impairment or an estimated glomerular filtration rate (eGFR) from 30 to 89 mL/min do not require dose adjustments. Indigotindisulfonate sodium is not recommended in patients with eGFR lower than 30 mL/min.

来源:DrugBank

吸收、分配和排泄

• 消除途径

靛玉红磺酸主要通过肾脏排出，在通过体内时保留其蓝色。大约16%的未改变药物以尿液形式排出，不到2%通过粪便排出。这种染料的消除在注射后迅速开始，在5分钟内出现在尿液中。

Indigotindisulfonic acid is excreted largely by the kidneys, retaining its blue color during passage through the body. Approximately 16% of the unchanged drug is excreted in urine, and less than 2% is excreted in feces. The elimination of this dye begins rapidly after injection, appearing in the urine within 5 minutes.

来源:DrugBank

吸收、分配和排泄

• 分布容积

靛蓝二磺酸钠的分布容积是10.7升。

The volume of distribution of indigotindisulfonate sodium is 10.7 L.

来源:DrugBank

吸收、分配和排泄

• 清除

在给予健康的成年人5毫升靛蓝二磺酸钠后，平均尿清除率为7.08升/小时，平均总清除率为40.2升/小时。

In healthy adults given 5 ml of indigotindisulfonate sodium, the mean urinary clearance was 7.08 L/hour, and the mean total clearance was 40.2 L/hour.

来源:DrugBank