替莫瑞林

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 中文名称: 替莫瑞林
• 中文别名: 替莫瑞林醋酸
• 英文名称: acetic acid;4-[[2-[[5-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[2-[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[2-[[3-carboxy-2-[2-[[2-(hex-3-enoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-[[1-[[4-amino-1-[[5-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• 化学式: C223H370N72O69S
• 分子量: 5196.0
• InChiKey: LAJZPRPPHHRDIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -26.94
• 重原子数：
  365
• 可旋转键数：
  187
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  2400
• 氢给体数：
  84
• 氢受体数：
  78

ADMET

毒理性

• 肝毒性

在临床试验中，针对与HIV相关的脂肪代谢障碍患者，tesamorelin治疗并未导致血清酶的新发升高，在某些研究中，与预先存在的ALT（丙氨酸氨基转移酶）升高的降低有关，可能是由于非酒精性脂肪肝的改善所介导的。目前尚未有报告称tesamorelin使用导致的临床上明显的肝损伤。

In clinical trials in patients with HIV-associated lipodystrophy, tesamorelin therapy was not associated with de novo elevations in serum enzymes and, in some studies, was associated with decreases in preexisting ALT elevations, possibly mediated by improvements in nonalcoholic fatty liver. Instances of clinically apparent liver injury attributable to tesamorelin use have not been reported.

来源:LiverTox