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Fig 1.

Structure and biological activity of C16.

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Fig 1 Expand

Fig 2.

Dose-level decision scheme for the PO and IP MTD studies.

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Table 1.

Solubility of C16 in vehicles suitable for in vivo evaluation.

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Table 1 Expand

Fig 3.

Stability of C16 in 10% Solutol HS-15 / 90% PEG 600 at 4 °C and room temperature (RT).

Peak ratios of C16 versus IS are shown (ANOVA/Tukey HSD or Welch/Gamess-Howell).

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Fig 4.

Stability of a dispersion of C16 in Medigel Sucralose (235.29 mg/cup) containing 1.64% DMSO at room temperature.

Peak ratios of C16 and IS are displayed (average ± SD of 3 wavelengths: 220 nm, 254 nm and 280 nm).

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Table 2.

Average PK parameters of C16 in the mouse and the rat.

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Table 2 Expand

Fig 5.

C16 Pharmacokinetics: Concentration-time curves.

A: rat, plasma; B: mouse, whole blood.

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Table 3.

In vitro physicochemical, stability and metabolism data.

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Table 3 Expand

Table 4.

Parent/metabolite areas and percentage in 0 min control and 15 min samples.

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Table 5.

MTD study in mice, PO administration: Observations.

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Table 5 Expand

Table 6.

MTD study in mice, IP administration: Observations.

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Table 6 Expand

Fig 6.

Selection of parameters recorded during the repeat-dose toxicity study.

A. Animal weight (ANOVA, Kruskal-Wallis, error bars were omitted for clarity, see Table V in S1 File). B. Feed consumption (Tukey HSD). C. Daily gel or water consumption (Tukey HSD). D. Average organ weights ±SD (ANOVA with post-hoc Tukey HSD; *p = 0.001). E. Hepatocyte toxicity, 0 mg/kg cohort animal. F. Normal hepatocytes, 300 mg/kg cohort animal.

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Table 7.

Clinical chemistry and hematology results after 7-day continuous PO dosing via medicated gels versus the water control group(average±SD).

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Table 7 Expand

Fig 7.

Whole blood levels of C16 after 7-day continuous PO dosing via medicated gels and comparison with projected C16 EC50 value (10 nM or 6.32 ng/mL).

N = 4, except for the 300 mg/kg evening condition (N = 3). Respectively 2 and 3 animals had C16 levels below the limit of quantification in the 0 mg/kg evening and morning conditions. Statistics: ANOVA or Mann-Whitney U test.

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Fig 8.

Concentration-time curve for C16 on dosing via oral gavage at 300 mg/kg in the mouse.

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