Carmofur

Category	SARS-CoV
CAS	61422-45-5
Description	Carmofur or HCFU is a pyrimidine analogue used as an antineoplastic agent. It is a derivative of fluorouracil.

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Product Information

Synonyms	HCFU
IUPAC Name	5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
Molecular Weight	257.26
Molecular Formula	C11H16FN3O3
Canonical SMILES	CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI	InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChIKey	AOCCBINRVIKJHY-UHFFFAOYSA-N
Melting Point	110-111
Purity	>98%
Density	1.3±0.1 g/cm3
Solubility	In Vitro: DMSO : ≥ 100 mg/mL(388.71 mM) H2O : 0.67 mg/mL(2.60 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: 2.08 mg/mL (8.09 mM); Suspended solution; Need ultrasonic 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.08 mg/mL (8.09 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (8.09 mM); Clear solution
Appearance	White to off-white (Solid)
Application	Antineoplastic Agents
Storage	Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 months
Complexity	382
Exact Mass	257.11756954
Index Of Refraction	1.525
In Vitro	Carmofur is one of the masked compounds of 5-FU, which was modified for more potent antineoplastic activity and less toxicity. Carmofur is converted in vivo into 5-FU directly or via intermetabolites, such as 1-(carboxypentylcarbamoyl)-5-fluorouracil and/or 1-(carboxypropylcarbomoyl)-5-fluorouraci. Carmofur and its metabolites gradually accumulate in the brain during continuous administration and are removed very slowly. Carmofur has potent neurotoxicity which can produce severe leucoencephalopathy resembling methotrexate leucoencephalopathy both clinically and on brain CT, together with a cerebellar syndrome similar to that following 5-FU neurotoxicity.
PSA	83.96000
Target	Nucleoside Antimetabolite/Analog; SARS-CoV; Virus Protease
XLogP3-AA	2.6