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Literature summary for 2.4.2.4 extracted from
- Synthesis and molecular docking study of piperazine derivatives as potent inhibitor of thymidine phosphorylase (2018), Bioorg. Chem., 78, 324-331 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 4-(2,5-difluorobenzyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide | - |
Escherichia coli |  |
| 4-(2,5-difluorobenzyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(4-(trifluoromethyl)phenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(m-tolyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(o-tolyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 4-(2,5-difluorobenzyl)-N-(p-tolyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| 7-deazaxanthine | - |
Escherichia coli | |
| additional information | synthesis and molecular docking study of piperazine derivatives as potent inhibitor of thymidine phosphorylase, overview | Escherichia coli | |
| N-(2-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| N-(2-chlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| N-(3,4-dichlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| N-(3-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| N-(4-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
| N-(adamantan-1-yl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | - |
Escherichia coli | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| thymine + 2-deoxy-alpha-D-ribose 1-phosphate | Escherichia coli | - |
thymidine + phosphate | - |
r | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Escherichia coli | P0C037 | - |
- |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| commercial preparation | - |
Escherichia coli | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| thymine + 2-deoxy-alpha-D-ribose 1-phosphate | - |
Escherichia coli | thymidine + phosphate | - |
r | |
Temperature Optimum [°C]
| Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|
| 25 | - |
assay at | Escherichia coli |
pH Optimum
| pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|
| 7.4 | - |
assay at | Escherichia coli |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.0011 | - |
pH 7.4, 25°C | Escherichia coli | N-(2-chlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | |
| 0.0012 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide | |
| 0.0016 | - |
pH 7.4, 25°C | Escherichia coli | N-(3,4-dichlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | |
| 0.002 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(4-(trifluoromethyl)phenyl)piperazine-1-carbothioamide | |
| 0.0025 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide | |
| 0.003 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide | |
| 0.0081 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide | |
| 0.0116 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide | |
| 0.0122 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide | |
| 0.0143 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(o-tolyl)piperazine-1-carbothioamide | |
| 0.0146 | - |
pH 7.4, 25°C | Escherichia coli | N-(3-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | |
| 0.0173 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(p-tolyl)piperazine-1-carbothioamide | |
| 0.0191 | - |
pH 7.4, 25°C | Escherichia coli | N-(2-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | |
| 0.0223 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(m-tolyl)piperazine-1-carbothioamide | |
| 0.0246 | - |
pH 7.4, 25°C | Escherichia coli | N-(4-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | |
| 0.0323 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide | |
| 0.03868 | - |
pH 7.4, 25°C | Escherichia coli | 7-deazaxanthine | |
| 0.0422 | - |
pH 7.4, 25°C | Escherichia coli | N-(adamantan-1-yl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide | |
| 0.6 | - |
pH 7.4, 25°C | Escherichia coli | 4-(2,5-difluorobenzyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide | |
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