4-β-Azido-4-desoxypodophyllotoxin

The main molecule of the title solvate, C33H30N2O10·CH3OH, is a new antitumor agent, which shows cytotoxicity against MDR cancer cell lines. It has been synthesized by coupling 4β-aminopodophyllotoxin with (5-methoxy-1H-indol-3-yl)glyoxyl chloride and structurally characterized. There are two crystallographically independent molecules in the asymmetric unit, which differ in the dihedral angles between the aromatic rings. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole and the benzene ring of the 5-methoxy-1H-indole are 85.08 (3) and 76.88 (3)° and reflect the main conformational difference between the two independent molecules. The asymmetric unit is completed with two methanol solvent molecules, one of which is disordered over two positions, with occupancies close to 0.5.

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4-Desoxy-4β-[(5-methoxy-1H-indol-3-yl)oxalylamino]podophyllotoxin methanol solvate

Feng

Zhao

Zhang

et al. 2008

Acta Cryst E

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4-β-Azido-4-desoxypodophyllotoxin

Abstract: Key indicatorsSingle-crystal X-ray study T = 298 K Mean (C-C) = 0.004 Å Disorder in main residue R factor = 0.040 wR factor = 0.112 Data-to-parameter ratio = 8.8For details of how these key indicators were automatically derived from the article, see

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4-Desoxy-4β-[(5-methoxy-1H-indol-3-yl)oxalylamino]podophyllotoxin methanol solvate

4-Desoxy-4β-[(5-methoxy-1H-indol-3-yl)oxalylamino]podophyllotoxin methanol solvate

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