八氯甘氨酸铝锆

• 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
• 中文名称: 八氯甘氨酸铝锆
• 中文别名: 八氯羟铝锆GLY配位化合物；八氯羟铝锆 GLY 配位化合物
• 英文名称: Aluminum;2-aminoacetate;zirconium(4+);chloride;dihydrate
• 英文别名: aluminum;2-aminoacetate;zirconium(4+);chloride;dihydrate
• 化学式: C2H8AlClNO4Zr+5
• 分子量: 263.74
• InChiKey: WYANSMZYIOPJFV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -7.33
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  68.2
• 氢给体数：
  3
• 氢受体数：
  6

ADMET

毒理性

• 毒性总结

欧盟已经发布了一份谨慎声明，指出不应将止汗剂涂抹在受损或刺激的皮肤上，然而在涂抹止汗剂前剃除腋下区域却是常见的做法。含有铝的止汗剂使用的可能健康风险尚未得到充分研究。尽管有人提出，除臭剂和/或止汗剂的使用与乳腺癌发病或诊断年龄有关，但铝制品使用与乳腺癌之间的因果关系尚未确立。 可获得数据的铝化合物的口服毒性（溴化物、硝酸盐、氯化物和硫酸盐）为中等至低，大鼠的LD50值在162至750 mg Al/kg之间，小鼠的LD50值在164至980 mg Al/kg之间，具体取决于研究的铝化合物的类型。

The EU has published a statement of caution that antiperspirant should not be applied to damaged or irritated skin, yet it is common to shave the underarm area before applying antiperspirant. The possible health risks of aluminum containing antiperspirant use are not well studied. Although it has been suggested that deodorant and/or antiperspirant use is associated with incidence or age of breast cancer diagnosis, a causal relationship between aluminium product use and breast cancer has not been established,. The oral toxicity of aluminium compounds for which data are available (bromide, nitrate, chloride and sulfate) is moderate to low, with LD50 values in the range of 162 to 750 mg Al/kg in rats, and from 164 to 980 mg Al/kg in mice, depending on the type of aluminium compound studied.

来源:DrugBank

吸收、分配和排泄

• 吸收

初步研究了使用铝-26从止汗剂中通过皮肤吸收铝的情况。在两名志愿者（一男一女）的腋下，每次使用约13毫克的铝氯化羟铝（21%浓度），在封闭敷料下重复暴露6天，并在之前已经用胶带剥离两次的皮肤上，之后采集了血液和尿液样本。在初次应用后6小时，在血液中检测到了铝，并且在之后的15天内仍然可检测到。这项研究的结果估计，平均吸收的铝的比例为0.012%。这项研究的不足之处在于，它没有按照良好实践（GCP）进行，并且只使用了2名志愿者。

A preliminary study of the dermal absorption of aluminium from antiperspirants using aluminum-26 was performed. After repeated exposure for 6 days to aluminum chlorohydrate 21 % (about 13 mg of aluminium) to each axilla under occlusive dressing in two volunteers (one man and a woman), on skin previously tape stripped twice, blood and urine samples were obtained. Aluminium was detected in the blood 6 hours after the primary application and remained detectable for 15 days therafter. The results of this study estimate that the proportion of aluminium is absorbed averaged 0.012%. The shortcomings of this study are that it was not done in accordance with good practice (GCP) and it was performed using only 2 volunteers.

来源:DrugBank