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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Paclitaxel-2′-succinate NHS ester is a paclitaxel derivative with a succinic acid linker, in which the carboxyl group is activated by the NHS ester. The NHS ester group is highly reactive toward amino or hydroxyl groups and can be used to conjugate with other molecules such as peptides , proteins, antibodies , enzymes or polymers. Paclitaxel-2′-succinate NHS ester can be used in the development of nanomedicines and in the study of cancer therapy.
| Canonical Smiles | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)ON7C(=O)CCC7=O)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C |
|---|---|
| IUPAC Name | 1-O-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl] 4-O-(2,5-dioxopyrrolidin-1-yl) butanedioate |
| InChIKey | DXNRHBJDAAJTTD-CGFZLWGJSA-N |
| INCHI | 1S/C55H58N2O19/c1-29-35(72-51(68)45(73-40(63)24-25-41(64)76-57-38(61)22-23-39(57)62)43(32-16-10-7-11-17-32)56-49(66)33-18-12-8-13-19-33)27-55(69)48(74-50(67)34-20-14-9-15-21-34)46-53(6,36(60)26-37-54(46,28-70-37)75-31(3)59)47(65)44(71-30(2)58)42(29)52(55,4)5/h7-21,35-37,43-46,48,60,69H,22-28H2,1-6H3,(H,56,66)/t35-,36-,37+,43-,44+,45+,46-,48-,53+,54-,55+/m0/s1 |
| Isomeric SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)ON7C(=O)CCC7=O)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C |
| Alternate CAS | 245110-80-9 |
| PubChem CID | 58755901 |
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