Chemical structure of CAS 220997-97-7

Diflomotecan

CAS No.220997-97-7
MDL No.N/A
MFC21H16F2N2O4
MW398.40
InChI KeyLFQCJSBXBZRMTN-OAQYLSRUSA-N

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Product Information

Diflomotecan is an organic heteropentacyclic compound, specifically (5R)-8-[(6,7-difluoroquinolin-3-yl)methyl]-5-ethyl-5-hydroxy-1,4,5,8-tetrahydrooxepino[3,4-c]pyridine-3,9-dione, where position 7 of the oxepinopyridine moiety is linked by a single bond to position 3 of the difluoroquinoline ring. It is an E-ring modified camptothecin analogue with enhanced lactone stability in plasma compared to other topoisomerase I inhibitors. Diflomotecan functions as a DNA topoisomerase inhibitor (EC 5.99.1.2) and an antineoplastic agent. It is classified as an organofluorine compound, tertiary alcohol, epsilon-lactone, and organonitrogen heterocyclic compound. It is functionally related to (R)-homocamptothecin.

CAS No.220997-97-7
Product NameDiflomotecan
Heavy Atom Count29Rotatable Bond Count1
Atom Stereo Count1Bond Stereo Count0
HBA6HBD1
TPSA81.420 ŲCharge0
Exact Mass398.10781Complexity1284.14
pKa11.433XLogP2.748