gallium;(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoate;hydron | 293295-75-7

• 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: gallium;(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoate;hydron
• CAS: 293295-75-7
• 化学式: C65H87GaN14O19S2
• 分子量: 1502.3
• InChiKey: XBJPSVQFCQFGDC-UZOALHFESA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -7.76
• 重原子数：
  101
• 可旋转键数：
  23
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  557
• 氢给体数：
  14
• 氢受体数：
  26

ADMET

毒理性

• 毒性总结

尚未对68镓-多塔肽进行研究，但与其他非放射性化合物的比较研究未显示突变。[FDA标签]

Studies on dotatate gallium 68 have not been studied but the comparative studies to other non-radioactivity compounds showed no mutation.[FDA label]

来源:DrugBank

毒理性

• 蛋白质结合

它表现出与血浆蛋白的结合。[A31368]

It presents binding to plasma proteins.[A31368]

来源:DrugBank

吸收、分配和排泄

• 吸收

68镓-多肽具有比其他68镓类似物更高的生长抑素受体亚型2的亲和力。静脉注射68镓-多肽后，会被吸收并分布到含有生长抑素受体亚型2的所有器官，如垂体、甲状腺、脾脏、肾上腺、肾脏、胰腺、前列腺、肝脏和唾液腺。在大脑皮层或心脏中没有摄取，而在胸腺和肺部的摄取非常低。[A31365]

Dotatate gallium 68 presents a higher affinity for the somatostatin receptor subtype 2 when compared with the other gallium 68 analogues. Intravenous administration of dotatate gallium 68 is absorbed and distributed to all the somatostatin subtype 2 receptor-containing organs like pituitary, thyroid, spleen, adrenals, kidney, pancreas, prostate, liver and salivary glands. There is no uptake in cerebral cortex or in the heart and the uptake presented in thymus and lung are very low.[A31365]

来源:DrugBank

吸收、分配和排泄

• 消除途径

在静脉注射68镓-多肽酸酯后的前四个小时内，大约有12%的注射剂量通过尿液排出。[A31365]

In the first four hours after the intravenous administration of dotatate gallium 68 there is an elimination of about 12% of the injected dose by the urine.[A31365]

来源:DrugBank

吸收、分配和排泄

• 分布容积

分布容积在0.25-0.65 ml/cm3的范围内登记。[A31369]

The volume of distribution is registered in a range from 0.25-0.65 ml/cm3.[A31369]

来源:DrugBank

吸收、分配和排泄

• 清除

68镓-多肽的药代动力学与68镓同位素的短半衰期相匹配，因此，这种药物表现出非常快的血液清除。[A31362]

The pharmacokinetics of dotatate gallium 68 is matched to the short half-life of the isotope gallium 68 thus, this pharmaceutical presents a very fast blood clearance.[A31362]

来源:DrugBank