Name: Tri-GalNAc-DBCO
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218801730
Cas No:
常用名:Tri-GalNAc-DBCO
IUPAC:6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[1-(2-{[3-(5-{[(2R,3R,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyoxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)-3-(2-{[4-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)butyl]carbamoyl}ethoxy)-2-[(2-{[3-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)methyl]propan-2-yl]-6-oxohexanamide
IUPAC:6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[1-(2-{[3-(5-{[(2R,3R,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyoxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)-3-(2-{[4-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)butyl]carbamoyl}ethoxy)-2-[(2-{[3-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)methyl]propan-2-yl]-6-oxohexanamide
InChI key:ISYZBZJCCWCLTN-KLAVVYJXSA-N

分子式:C82H127N11O29
分子量:1730.966
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12
SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12

Tri-GalNAc-DBCO是一种PIP-GalNAc 偶联物，通过无铜菌株促进的叠氮化物-炔烃环加成与非特异性标记抗体上的叠氮化物偶联，可结合ASGPR以驱动蛋白质下调和靶向蛋白质降解的化合物。

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