Quarfloxin
15-fluoro-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-yl)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
Molecular Identity
Quarfloxin
15-fluoro-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-yl)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
PubChem CID: 11635763
Itarnafloxin is an organic heteropentacyclic compound that is 3H-benzo[b]pyrido[3,2,1-kl]phenoxazin-3-one substituted by 2-[(2S)-1-methylpyrrolidin-2-yl]ethanaminoacyl, fluoro, and 3-(pyrazin-2-yl)pyrrolidin-1-yl groups at positions 2, 5 and 6, respectively. It is a G-quadruplex interactive agent, previously in clinical trials for the treatment of carcinoid/neuroendocrine tumours (now discontinued). It has a role as a topoisomerase II inhibitor, an antineoplastic agent, an antimalarial and an apoptosis inducer. It is a secondary carboxamide, a phenoxazine, an organofluorine compound, an organic heteropentacyclic compound, a member of pyrazines and a N-alkylpyrrolidine.
2D Structure
Properties
C35H33FN6O3
Molecular Formula
604.70
Molecular Weight
g/mol
604.2598
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
90.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Quarfloxin865311-47-3ItarnafloxinCX-3543QuarfloxacinQuarfloxin [USAN]Itarnafloxin [INN]itarnafloxinaitarnafloxineQuarfloxin (USAN)15-fluoro-N-[2-[(2s)-1-methylpyrrolidin-2-yl]ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-yl)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamideUNII-8M31J5031Q8M31J5031QITARNAFLOXIN [WHO-DD]3H-BENZO(B)PYRIDO(3,2,1-KL)PHENOXAZINE-2-CARBOXAMIDE, 5-FLUORO-N-(2-((2S)-1-METHYL-2-PYRROLIDINYL)ETHYL)-3-OXO-6-(3-PYRAZINYL-1-PYRROLIDINYL)-
Data from PubChem (NCBI)
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