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

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结构编辑

类似物检索

HIT ID:HIT218850638
Cas No:2345732-89-8
常用名:Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal
常用名:Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal
IUPAC:{2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-({3-[(2S)-2-[(2S)-2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]propanamido]propanamido]phenyl}methyl)phenyl]-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethoxy}phosphonic acid
IUPAC:{2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-({3-[(2S)-2-[(2S)-2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]propanamido]propanamido]phenyl}methyl)phenyl]-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethoxy}phosphonic acid
InChI key:PCHXBKCIRQOZOP-OWXFDGHLSA-N

分子式:C47H53N4O14P
分子量:928.929
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](C)NC(=O)[C@H](C)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](C)NC(=O)[C@H](C)NC(=O)CN3C(=O)C=CC3=O)c2)cc1)C(=O)COP(O)(O)=O

Glucocorticoid receptoragonist-1 phosphate Ala-Ala-Mal 是一种糖皮质激素受体激动剂。Glucocorticoid receptoragonist-1 phosphate Ala-Ala-Mal 可用于抗 CD40抗体偶联活性分子(ADC)。Glucocorticoid receptoragonist-1 phosphate Ala-Ala-Mal 可用于炎症和免疫调节的研究。

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