Name: 7-O-(Cbz-N-amido-PEG4)-paclitaxel
Rating: 5 (10 reviews)

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HIT ID:HIT212667265
Cas No:
常用名:7-O-(Cbz-N-amido-PEG4)-paclitaxel
常用名:7-O-(Cbz-N-amido-PEG4)-paclitaxel
IUPAC:(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-9-yl 1-{[(benzyloxy)carbonyl]amino}-3,6,9,12-tetraoxapentadecan-15-oate
IUPAC:(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-9-yl 1-{[(benzyloxy)carbonyl]amino}-3,6,9,12-tetraoxapentadecan-15-oate
InChI key:HJKOKKMPULFMRK-NCJMBMFASA-N

分子式:C66H78N2O21
分子量:1235.343
氢键供体数 (HBD):4
氢键受体数 (HBA):15
LogP:5.267557
SMILES:CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](OC(=O)CCOCCOCCOCCOCCNC(=O)OCc4ccccc4)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5|
SMILES:CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](OC(=O)CCOCCOCCOCCOCCNC(=O)OCc4ccccc4)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5|

7-O-(Cbz-N-amido-PEG4)-paclitaxel is a PEG-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.

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