Name: Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Mal
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218849265
Cas No:2345732-83-2
常用名:Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Mal
常用名:Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Mal
IUPAC:(4S)-4-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]-4-{[3-({4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-8-[2-(phosphonooxy)acetyl]-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-6-yl]phenyl}methyl)phenyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]-4-{[3-({4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-8-[2-(phosphonooxy)acetyl]-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-6-yl]phenyl}methyl)phenyl]carbamoyl}butanoic acid
InChI key:BACFCSKNRKGXJF-YFTVFXHHSA-N

分子式:C46H50N3O15P
分子量:915.886
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)c1ccc(Cc2cccc(NC(=O)[C@H](CCC(O)=O)NC(=O)CN3C(=O)C=CC3=O)c2)cc1)C(=O)COP(O)(O)=O
SMILES:[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)c1ccc(Cc2cccc(NC(=O)[C@H](CCC(O)=O)NC(=O)CN3C(=O)C=CC3=O)c2)cc1)C(=O)COP(O)(O)=O

Glucocorticoid receptoragonist-1 phosphate Gly-Glu-Mal 作为一种糖皮质激素受体激动剂，在ADC药物连接物中发挥重要作用。此化合物被应用于抗CD40抗体偶联药物的合成中，具体实例可参见文献WO2019106608A1中的example 9。

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