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- W2045349938 abstract "X-ray diffraction was used to confirm the geometry of trans-1,4-bis(4-amidinophenoxy)-2-butene dihydrochloride dihydrate (trans-butenamidine). trans-Butenamidine is a semirigid analogue of pentamidine that has demonstrated good anti-Pneumocystis carinii activity in rats. Molecular modeling studies revealed that unlike pentamidine or propamidine, trans-butenamidine does not discriminate between AT and TA sequences in its binding to the minor groove of DNA. Crystal data: [C18H22N4O2(2+)][Cl(-)]2[H2O]2, triclinic space group, P1, a = 9.443(1) A, b = 11.400(1) A, c = 11.919(1) A, alpha = 62.19(1) degree, beta = 81.10(1) degree, gamma = 72.19(1) degree, V = 1080.3(3) A3, Z = 2, R = 0.054 for 1149 observed reflections with I > 3 sigma (1)." @default.
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- W2045349938 date "1995-04-01" @default.
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- W2045349938 title "Pentamidine Congeners. 3. Crystal Structure and Molecular Modeling Studies of trans-1,4-Bis( 4-amidinphenoxy)-2-butene" @default.
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- W2045349938 doi "https://doi.org/10.1002/jps.2600840412" @default.
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