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Literature summary extracted from

  • de Moura Sperotto, N.D.; Deves Roth, C.; Rodrigues-Junior, V.S.; Ev Neves, C.; Reisdorfer Paula, F.; da Silva Dadda, A.; Bergo, P.; Freitas de Freitas, T.; Souza Macchi, F.; Moura, S.; Duarte de Souza, A.P.; Campos, M.M.; Valim Bizarro, C.; Santos, D.S.; Basso, L.A.; Machado, P.
    Design of novel inhibitors of human thymidine phosphorylase synthesis, enzyme inhibition, in vitro toxicity, and impact on human glioblastoma cancer (2019), J. Med. Chem., 62, 1231-1245 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.4.2.4 1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
-
 Homo sapiens
2.4.2.4 5-bromo-6-[[(1,3-dihydroxypropan-2-yl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 5-bromo-6-[[(2,3-dihydroxypropyl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 5-bromo-6-[[(2-hydroxyethyl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 5-chloro-6-[1-(2-iminopyrrolidinyl)methyl] uracil hydrochloride
-
 Homo sapiens
2.4.2.4 5-chloro-6-[[(1,3-dihydroxypropan-2-yl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 5-chloro-6-[[(2-hydroxyethyl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 5-iodo-6-[[(piperidin-1-yl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 6-(((1,3-dihydroxypropan-2-yl)amino)methyl)-5-iodopyrimidine-2,4(1H,3H)-dione the inhibitor shows a noncompetitive inhibition mode with both thymidine and inorganic phosphate substrates. Effect of 8g on cell viabilities of different cancer cell lines, overview Homo sapiens
2.4.2.4 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 6-[(dimethylamino)methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 6-[(dipentylamino)methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 6-[(dipropylamino)methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 6-[[(2,3-dihydroxypropyl)(methyl)amino]methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 6-[[(2-hydroxyethyl)amino]methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 6-[[bis(2-ethoxyethyl)amino]methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2.4.2.4 additional information designed as transition-state analogues by mimicking the oxacarbenium ion, the pyrimidine-2,4-diones are synthesized and evaluated as inhibitors of hTP activity, kinetic mechanisms for the most potent molecule and evaluation of the interaction mode using molecular docking, overview Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.4.2.4 thymidine + phosphate Homo sapiens
-
 thymine + 2-deoxy-alpha-D-ribose 1-phosphate
-
 r

Organism

EC Number Organism UniProt Comment Textmining
2.4.2.4 Homo sapiens P19971
-
-

Reaction

EC Number Reaction Comment Organism Reaction ID
2.4.2.4 thymidine + phosphate = thymine + 2-deoxy-alpha-D-ribose 1-phosphate SN1- and SN2-like transition states are proposed for the hTP-catalyzed reaction, overview Homo sapiens
a

Source Tissue

EC Number Source Tissue Comment Organism Textmining
2.4.2.4 glioblastoma cell
-
 Homo sapiens
-
2.4.2.4 U-87MG cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.4.2.4 thymidine + phosphate
-
 Homo sapiens thymine + 2-deoxy-alpha-D-ribose 1-phosphate
-
 r

Synonyms

EC Number Synonyms Comment Organism
2.4.2.4 HTP
-
 Homo sapiens

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.4.2.4 0.00002
-
 5-chloro-6-[1-(2-iminopyrrolidinyl)methyl] uracil hydrochloride pH and temperature not specified in the publication Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.4.2.4 0.000035
-
 pH and temperature not specified in the publication Homo sapiens 5-chloro-6-[1-(2-iminopyrrolidinyl)methyl] uracil hydrochloride
2.4.2.4 0.00012
-
 pH and temperature not specified in the publication Homo sapiens 6-(((1,3-dihydroxypropan-2-yl)amino)methyl)-5-iodopyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.001
-
 pH and temperature not specified in the publication Homo sapiens 5-chloro-6-[[(1,3-dihydroxypropan-2-yl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.0056
-
 pH and temperature not specified in the publication Homo sapiens 5-bromo-6-[[(1,3-dihydroxypropan-2-yl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.0084
-
 pH and temperature not specified in the publication Homo sapiens 6-[(dimethylamino)methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.012
-
 pH and temperature not specified in the publication Homo sapiens 6-[[(2-hydroxyethyl)amino]methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.017
-
 pH and temperature not specified in the publication Homo sapiens 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.024
-
 pH and temperature not specified in the publication Homo sapiens 5-bromo-6-[[(2-hydroxyethyl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.028
-
 pH and temperature not specified in the publication Homo sapiens 6-[(dipentylamino)methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.034
-
 pH and temperature not specified in the publication Homo sapiens 5-iodo-6-[[(piperidin-1-yl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.036
-
 pH and temperature not specified in the publication Homo sapiens 6-[[(2,3-dihydroxypropyl)(methyl)amino]methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.039
-
 pH and temperature not specified in the publication Homo sapiens 5-chloro-6-[[(2-hydroxyethyl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.04
-
 pH and temperature not specified in the publication Homo sapiens 1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
2.4.2.4 0.04
-
 pH and temperature not specified in the publication Homo sapiens 5-bromo-6-[[(2,3-dihydroxypropyl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.087
-
 pH and temperature not specified in the publication Homo sapiens 6-[[bis(2-ethoxyethyl)amino]methyl]-5-iodopyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.1
-
 above, pH and temperature not specified in the publication Homo sapiens 5-bromo-6-[[(2,3-dihydroxypropyl)amino]methyl]pyrimidine-2,4(1H,3H)-dione
2.4.2.4 0.1
-
 above, pH and temperature not specified in the publication Homo sapiens 6-[(dipropylamino)methyl]-5-iodopyrimidine-2,4(1H,3H)-dione

General Information

EC Number General Information Comment Organism
2.4.2.4 malfunction overexpression of human thymidine phosphorylase (hTP) has been associated with cancer aggressiveness and poor prognosis by triggering proangiogenic and antiapoptotic signaling Homo sapiens