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. Author manuscript; available in PMC: 2018 Aug 17.
Published in final edited form as: J Med Chem. 2018 Apr 27;61(9):4228–4248. doi: 10.1021/acs.jmedchem.8b00408

Table 1.

Cell Proliferation Assays with 6-Substituted Pyrrolo[2,3-d]pyrimidine Analoguesa

CHO (IC50, nM) HeLa (IC50, nM)
RFC FRα FRβ PCFT RFC PCFT FRα
group antifolate 2′/3′-F PC43–10 R2 RT16 D4 R2/PCFT4 R1–11-RFC2 R1–11-PCFT4 R1–11-FR2
1 106(17) 249(25) 0.31(0.15) 0.16(0.02) 3.3(0.5) 444(5) 53.1(15.5) 30.2(5.6)
a 2 >1000 >1000 6.3(1.6) 6.3(1.6) 213(28) >1000 5.21(1.33) 11.6(2.7)
a 8 + >1000 >1000 0.58(0.12) 1.6(0.44) 23(2) >1000 4.57(1.48) 7.78(1.89)
b 3 304(89) >1000 4.1(1.6) 5.6(1.2) 23.0(3.3) >1000 9.71(2.78) 12.2(4.4)
b 9 + 62(12)* 140(27)* 1.12(0.37)* 3.87(0.14)* 3.82(0.27)* 507(76) 5.54(3.35) 5.22(1.32)
c 4 >1000 >1000 1.3(0.1) 0.51(0.09) 30.4 (10.7) 634(43.9) 8.98(3.64) 6.54(1.29)
c 10 + 468(142) >1000 0.69(0.39) 0.44(0.13) 67(25) >1000 21.57(4.54)* 21.7(3.9)*
d 5 >1000 >1000 2.5(0.5) 0.43(0.14) 41.5(3.1) >1000 72.6(18.1) 35.3(6.2)
d 11 + >1000 >1000 0.36(0.13) 0.75(0.42) 6.00(0.94)* 213(9) 5.01(2.12)* 2.84(0.67)*
e 6 197(49) 355(10) 0.33(0.15) 0.34(0.03) 5.4(1.3) 62.9(3.8) 40.0(9.8) 7.57(1.16)
e 12 + 20.1(6.2)* 20.5(1.6)* 0.14(0.03)* 0.19(0.02) 1.5(0.4)* 66.2(6.2) 20.4(4.7)* 3.11(0.69)*
PMX 26.2(5.5) 138(13) 42(9) 60(8) 8.3(2.7) 23.8(1.5) 66.8(4.8) 863(81)
a

Growth inhibition assays were performed using CHO sublines derived from RFC-, PCFT-, and FR-null MTXRIIOuaR2–4 CHO cells (R2) engineered to express human RFC (PC43–10), PCFT (R2/hPCFT4), FRα (RT16), or FRβ (D4).25,4346 Additional experiments were performed with isogenic HeLa sublines derived from RFC-, PCFT-, and FR-null R1–11 HeLa cells, expressing RFC (R1–11RFC2), PCFT (R1–11PCFT4), or FRα (R1–11FR2).28,47,48 For all experiments, folate-free RPMI 1640 with 10% dialyzed FBS and antibiotics was used including 2 nM LCV (RT16 and D4 CHO) or 25 nM LCV (R2, PC43–10, and R2/PCFT4 CHO; R1–11RFC2, R1–11PCFT4, R1–11FR2 HeLa). Results are shown as mean values from three to five experiments (± standard errors in parentheses) and are presented as calculated IC50 values representing the concentrations at which growth of 50% of cells was inhibited relative to untreated cells. IC50 values of fluorinated compounds that are statistically different from the corresponding non-fluorinated compounds within each cell line are marked with * (p < 0.05). Groups a, b, c, etc. designated paired structural homologs differing by virtue of the absence or presence of a 2′ or 3′ fluorine.