Panthananickal A, Hansch C, Leo A
J Med Chem. 1979 Oct;22(10):1267-9. doi: 10.1021/jm00196a023.
A set of 23 aniline mustards [X-C6H4N(CH2CH2Cl)2] have been tested for their activity against B-16 melanoma in mice. The following quantitative structure-activity relationship (QSAR) correlates the data well: log 1/C = -2.06 sigma - 0.15 pi - 0.13 pi2 + 4.13 (r = 0.936). When this equation is compared with those formulated for aniline mustards acting against leukemia, it is found that log P0 (ideal lipophilicity) is higher for solid tumors. The QSAR brings out the unique activity of phenylalanine aniline mustard.
已对一组23种苯胺氮芥[X-C6H4N(CH2CH2Cl)2]针对小鼠B-16黑色素瘤的活性进行了测试。以下定量构效关系（QSAR）能很好地关联这些数据：log 1/C = -2.06σ - 0.15π - 0.13π2 + 4.13（r = 0.936）。当将该方程与针对白血病的苯胺氮芥所制定的方程进行比较时，发现实体瘤的log P0（理想亲脂性）更高。该QSAR揭示了苯丙氨酸苯胺氮芥的独特活性。
