5-Fluorouracil-[6-d]

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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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