Name: Paclitaxel-SMCC
Rating: 5 (10 reviews)

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HIT ID:HIT212693012
Cas No:
常用名:Paclitaxel-SMCC
别名:SMCC-Taxol, SMCC taxol, Taxol-SMCC, Taxol SMCC, Paclitaxel with SMCC linker, Paclitaxel ADC conjugate.
别名:SMCC-Taxol, SMCC taxol, Taxol-SMCC, Taxol SMCC, Paclitaxel with SMCC linker, Paclitaxel ADC conjugate.
IUPAC:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-2-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexanecarbonyloxy}-3-phenyl-3-(phenylformamido)propanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-2-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexanecarbonyloxy}-3-phenyl-3-(phenylformamido)propanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
InChI key:INJXTVZVAWCWGH-YIDBHEPESA-N

分子式:C59H64N2O17
分子量:1073.158
氢键供体数 (HBD):3
氢键受体数 (HBA):12
LogP:5.128112
SMILES:CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5,61|
SMILES:CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5,61|

Paclitaxel-SMCC is a paclitaxel derivative with a SMCC linker. (Succinimidyl-4-( N -maleimidomethyl)cyclohexane-1-carboxylate). Paclitaxel-SMCC can be used to synthesize Paclitaxel bioconjugates with enzymes, antobodies, antigens and other biopolymers. Paclitaxel-SMCC is often used for drug delivery research.

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