Name: PSMA-trillium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219648611
Cas No:
常用名:PSMA-trillium
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[({3-[1-(2-{2-[2-(2-{[(1S)-1-[(26-{[(1S)-1-carboxy-5-[4-(4-iodophenyl)butanamido]pentyl]carbamoyl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]-5-({[4-(2-{[2-carboxy-6-({16-[(6-carboxypyridin-2-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}methyl)pyridin-4-yl]oxy}ethyl)phenyl]carbamothioyl}amino)pentyl]carbamoyl}ethoxy)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-yl]phenyl}carbamoyl)amino]pentyl]carbamoyl}amino)pentanedioic acid
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[({3-[1-(2-{2-[2-(2-{[(1S)-1-[(26-{[(1S)-1-carboxy-5-[4-(4-iodophenyl)butanamido]pentyl]carbamoyl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]-5-({[4-(2-{[2-carboxy-6-({16-[(6-carboxypyridin-2-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}methyl)pyridin-4-yl]oxy}ethyl)phenyl]carbamothioyl}amino)pentyl]carbamoyl}ethoxy)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-yl]phenyl}carbamoyl)amino]pentyl]carbamoyl}amino)pentanedioic acid
InChI key:InChIKey=MTIIFJOITJQZRL-ONKCMSQHSA-N

分子式:C106H156IN17O34S
分子量:2371.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1cccc(c1)-c1cn(CCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccc(CCOc3cc(CN4CCOCCOCCN(Cc5cccc(n5)C(O)=O)CCOCCOCC4)nc(c3)C(O)=O)cc2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)nn1)C(O)=O)C(O)=O
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1cccc(c1)-c1cn(CCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccc(CCOc3cc(CN4CCOCCOCCN(Cc5cccc(n5)C(O)=O)CCOCCOCC4)nc(c3)C(O)=O)cc2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)nn1)C(O)=O)C(O)=O

PSMA-trillium 是一种PSMA靶向化合物，包含PSMA靶向分子（PSMA 结合剂）、Macropa 螯合分子以及调节药代动力学的基团（PK 调节剂）。PSMA-trillium 是 Actinium-225-PSMA-Trillium (BAY 3563254) 的非放射性形式，展现了更优越的PSMA靶向性和药代动力学特性。通过 Macropa 螯合分子或放射性同位素225Actinium，PSMA-trillium 能与 Ac 结合。Actinium-225-PSMA-Trillium 是一种针对转移性去势抵抗性前列腺癌 (mCRPC) 的强效抑制剂。

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