CAS 78454-17-8: 7-epi-10-Deacetyltaxol
Description:7-epi-10-Deacetyltaxol, with the CAS number 78454-17-8, is a semi-synthetic derivative of the natural product taxol, which is known for its anticancer properties. This compound features a complex polycyclic structure characteristic of taxanes, including a taxane core with specific functional groups that contribute to its biological activity. It exhibits a high degree of stereochemistry, which is crucial for its interaction with biological targets, particularly in inhibiting cell division by stabilizing microtubules. The compound is typically studied for its potential therapeutic applications in oncology, as it may exhibit cytotoxic effects against various cancer cell lines. Additionally, 7-epi-10-Deacetyltaxol may possess different pharmacokinetic and pharmacodynamic properties compared to its parent compound, influencing its efficacy and safety profile. Its solubility, stability, and formulation characteristics are also important for its development as a pharmaceutical agent. Overall, this compound represents a significant area of research in the field of medicinal chemistry and cancer treatment.
Formula:C45H49NO13
InChI:InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
InChI key:InChIKey=TYLVGQKNNUHXIP-DIYBZAJCSA-N
SMILES:O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(O)C4=C(C)C(OC(=O)C(O)C(NC(=O)C=5C=CC=CC5)C=6C=CC=CC6)CC1(O)C4(C)C)C)C=7C=CC=CC7
- Synonyms:
- 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
- 7-EPI-10-DEACETYL-TAXOL
- Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
- 7-Epi-10-deacetyltaxol
- 7-epi-10-Deacetyltaxol
- 2'-epi-3'-epi-10-Deacetyltaxol
- 10-Deacetyl-7-epitaxol