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. Author manuscript; available in PMC: 2017 Oct 23.
Published in final edited form as: Eur J Med Chem. 2017 Mar 24;133:197–207. doi: 10.1016/j.ejmech.2017.03.041

Table 1.

Kinetics of ICL formation and monomer reaction

Compds Disappearance of
starting materialsa 		QM formationa Kinetics of ICL formationb
Time of
completion
(min)		 kobs
(10−5 s−1)		 Time of
completion
(min)		 kobs
(10−5 s−1)		 Time of
completion
(min		 kobs
(10−5 s−1)		 ICL
(%)
1a 60 39.0 ± 1.5 60 9.5 ± 0.2 600 8.8 ± 1.3 22 ± 3
2a 42 56.7 ± 4.3 50 38.3 ± 2.2 240 23.7 ± 1.4 36 ± 4
5a 40 61.7 ± 3.2 40 58.3 ± 4.3 300 20.1 ± 1.5 50 ± 5
1b 240 19.4 ± 1.2 240 n.d.c 90d n.d.c 20 ± 3
2b 480 9.1 ± 0.6 480 n.d.c 90d n.d.c 26 ± 3
5b 480 8.3 ± 0.5 480 n.d.c 90d n.d.c 32 ± 4
a

The rate constants for monomer reactions was determined by NMR analysis in a mixture of DMSO and a deuterated phosphate buffer pH 8 (3:2) (SI Figures S14–S19).

b

The rate constants for ICL formation was determined in a phosphate buffer pH 8, where the cross-linking reaction was performed.

c

n.d.: The rate constants were not determined due to the complexity of the reactions.

d

Due to quick hydrolysis of the acetate groups at pH 8 buffer, the observed reaction time for DNA cross-linking reaction was much shorter than that of the monomer reactions.