What Makes a Potent Nitrosamine? Statistical Validation of Expert SAR

I’m pleased to be able to announce that our latest paper, looking at applying statistical rigour to the expert SAR feature list that Kevin and I (and others, going all the way back to Lijinsky) have been able to assess subjectively, is finally out. We can now say that steric hindrance has a statistically-significant impact decrease on potency, and metabolically-labile features a statistically-significant increase (w.r.t. a hypothetical featureless nitrosamine).

The corollary of this is that we would expect a nitrosamine without activating features to be significantly less potent than NDEA/NDMA, and one with deactivating features to be significantly less potent again.