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Table 3 Data set of 1,3-diazine derivatives with their anticancer screening results

From: Computational approaches: discovery of GTPase HRas as prospective drug target for 1,3-diazine scaffolds

Comp.

Compound name

Molecular structure

Anticancer activity

IC50 (µmol/mL)

Cancer cell lines

HCT116

RAW264.7

s1.

6,6′-(1,4-Phenylene)bis(N-(4-chlorobenzylidene)-4-(2,4-dichlorophenyl)pyrimidin-2-amine

11.24 ± 1.3

10.26 ± 2.3

s2.

4,4′-(((6,6′-(1,4-Phenylene) bis(4-(2,4-dichlorophenyl) pyrimidine-6,2-diyl))bis-(azanylylidene))bis(methanyl-ylidene))bis(2-ethoxyphenol)

3.95 ± 1.2

3.86 ± 1.3

s3.

6,6′-(1,4-Phenylene)bis(4-(2,4-dichlorophenyl)-N-(3-nitro-benzylidene)pyrimidin-2-amine)

1.06 ± 0.1

3.13 ± 1.6

s4.

4,4′-(((6,6′-(1,4-Phenylene)-bis(4-(2,4-dichlorophenyl)-pyrimidine-6,2-diyl))bis(azanyl-ylidene))bis(methanylylidene))-diphenol

10.56 ± 2.6

9.96 ± 3.2

s5.

6,6′-(1,4-Phenylene)bis(4-(2,4-dichlorophenyl)-N-(2-nitrobenzylidene)pyrimidin-2-amine)

10.11 ± 2.1

10.02 ± 2.2

s6.

6,6′-(1,4-Phenylene)bis(4-(2,4-dichlorophenyl)-N-(4-nitrobenzylidene)pyrimidin-2-amine)

5.41 ± 1.3

4.12 ± 2.6

s7.

6,6′-(1,4-Phenylene)bis(4-(2,4-dichlorophenyl)-N-(4-(dimethylamino)benzylidene)pyrimidin-2-amine)

3.70 ± 1.2

3.41 ± 1.5

s8.

6,6′-(1,4-Phenylene)bis(4-(2,4-dichlorophenyl)-N-(4-methoxy-benzylidene)pyrimidin-2-amine)

2.96 ± 2.1

2.78 ± 2.3

s9.

6,6′-(1,4-Phenylene)bis(N-(2,4-dichlorobenzylidene)-4-(2,4-dichlorophenyl)pyrimidin-2-amine)

1.26 ± 1.7

2.61 ± 1.2

s10.

6,6′-(1,4-Phenylene)bis(4-(2,4-dichlorophenyl)-N-(2-methoxy-benzylidene)pyrimidin-2-amine)

3.23 ± 1.2

2.24 ± 2.2

s11.

4,4′-(((6,6′-(1,4-Phenylene) bis(4-(2,4-dichlorophenyl) pyrimidine-6,2-diyl))bis-(azanylylidene))bis(methanyl-ylidene))bis(2-methoxyphenol)

3.04 ± 1.23

1.97 ± 2.3

s12.

6,6′-(1,4-Phenylene)bis(N-(2-chlorobenzylidene)-4-(2,4-dichlorophenyl)-pyrimidin-2-amine)

2.55 ± 1.2

2.57 ± 1.2

s13.

2,2′-(((6,6′-(1,4-Phenyl-ene)bis(4-(2,4-dichloro-phenyl)pyrimidine-6,2-diyl))bis-(azanylylidene))bis(methanyly-lidene))diphenol

1.33 ± 1.3

2.27 ± 1.4

s14.

6,6′-(1,4-Phenylene)bis(4-(2,4-dichlorophenyl)-N-(4-(diethyl-amino)benzylidene)pyrimidin-2-amine)

1.08 ± 1.1

2.11 ± 1.6

s15.

6,6′-(1,4-Phenylene)bis(N-(3-chlorobenzylidene)-4-(2,4-dichlorophenyl)-pyrimidin-2-amine)

1.54 ± 1.1

2.62 ± 1.5

s16.

4-(2,4-Dichlorophenyl)-6-(4-(6-(2,4-dichlorophenyl)-2-(((E)-3-phenylallylidene)-amino)-pyrimidin-4-yl)-phenyl)-N-((E)-3-phenyl-allylidene)pyrimidin-2-amine

2.39 ± 1.2

1.89 ± 1.7

  1. Data were expressed as the mean ± standard error (SE)
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BMC Chemistry

ISSN: 2661-801X

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