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5-Fluorouracil-[6-d]

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Category Human immunodeficiency Virus (HIV)
CAS 90344-84-6
Description 5-Fluorouracil-d1 (5-FU-d1) is the deuterium labeled 5-Fluorouracil. It is an analogue of uracil and apotent antitumor agent. 5-Fluorouracil affects pyrimidine synthesis by inhibiting thymidylate synthetase thus depleting intracellular dTTP pools.
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Product Information

Synonyms 5-Fluorouracil-6-D1; 5-Fluoro-2,4(1H,3H)pyrimidinedione-d1; 2,4-Dihydroxy-5-fluoropyrimidine-d1; 5-FU-d1; 5-Fluoropyrimidine-2,4-diol-d1; Adrucil-d1; Arumel-d1; Carac-d1; Fluoroplex-d1; Fluorouracil-d1; Flurablastin-d1; Queroplex-d1; Timazin-d1; Ulup-d1
IUPAC Name 6-deuterio-5-fluoro-1H-pyrimidine-2,4-dione
Molecular Weight 131.08
Molecular Formula C4H2DFN2O2
Canonical SMILES C1=C(C(=O)NC(=O)N1)F
InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)/i1D
InChIKey GHASVSINZRGABV-MICDWDOJSA-N
Melting Point 262-266°C
Purity ≥98%; ≥99% atom D
Density 1.55g/cm3
Solubility Slightly soluble in DMSO, Methanol
Appearance White Solid
Application Labelled 5-FU, a potent antineoplastic agent in clinical use. Also an inhibitor of DNA synthesis.
Storage Store at 2-8°C
Complexity 199
Exact Mass 130.01800
Index Of Refraction 1.523
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
PSA 66.24000
Target Nucleoside Antimetabolite/Analog; HIV; Apoptosis; Endogenous Metabolite
XLogP3-AA -0.9

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