CAS 219989-84-1: Ixabepilone
Description:Ixabepilone is a synthetic epothilone, a class of compounds that function as microtubule stabilizers, similar to taxanes. It is primarily used in the treatment of metastatic breast cancer, particularly in cases where other therapies have failed. The chemical formula of ixabepilone is C22H27N3O4S, and it has a molecular weight of approximately 429.54 g/mol. This compound exhibits a unique mechanism of action by binding to the β-tubulin subunit of microtubules, thereby inhibiting their depolymerization and disrupting normal mitotic processes in cancer cells. Ixabepilone is characterized by its ability to overcome resistance mechanisms that often limit the effectiveness of traditional chemotherapeutic agents. It is administered intravenously and has a relatively long half-life, allowing for less frequent dosing. Side effects may include peripheral neuropathy, myelosuppression, and gastrointestinal disturbances. Overall, ixabepilone represents an important therapeutic option in oncology, particularly for patients with resistant forms of breast cancer.
Formula:C27H42N2O5S
InChI:InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
InChI key:InChIKey=FABUFPQFXZVHFB-PVYNADRNSA-N
SMILES:O=C1NC(C(=CC=2N=C(SC2)C)C)CC3OC3(C)CCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C
- Synonyms:
- (1R,5S,6S,7R,10S,14S,16S)-6,10-Dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione
- (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
- (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
- 17-Oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)-
- Azaepothilone B
- Bms 247550
- Bms 247550-1
- Ixempra