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Screening compounds

Emitefur

Also known as Last-F, Benzoic acid, 3-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester, 3-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester

CAS 110690-43-2Formula C28H19FN4O8Molar mass 558.48 g/mol
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Emitefur chemical structure, C28H19FN4O8, CAS 110690-43-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
110690-43-2
Formula
C28H19FN4O8
Molar mass
558.48 g/mol
HS code
293359
Category
Screening compounds

What is Emitefur?

Plain description, key identifiers and synonyms

Emitefur is an orally available antimetabolite composed of the 1-ethoxymethyl derivative of 5-fluorouracil (5-FU) and the dihydropyrimidine dehydrogenase (DPYD) inhibitor 3-cyano-2,6-dihydroxypyridine (CNDP) in a 1:1 molar ratio, with antineoplastic activity. Upon administration, the prodrug emitefur is converted into 5-FU, while CNDP prevents the degradation of 5-FU by inhibiting DPYD and thereby prolonging the half-life of 5-FU. This increases 5-FU's concentration and thus its antitumor activity through inhibition of DNA and RNA synthesis, as well as inhibition of thymidylate synthase activity. In addition, by inhibiting the formation of 5-FU metabolites, some toxic effects associated with these metabolites may be reduced. DPYD is the rate-limiting enzyme in the catabolism of 5-FU.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6-benzoyloxy-3-cyano-2-pyridinyl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
CAS number
110690-43-2 CAS number cross-checked
Molecular formula
C28H19FN4O8
UNII
9I50NF4AQ2
InChIKey
WTSKMKRYHATLLL-UHFFFAOYSA-N
InChI
InChI=1S/C28H19FN4O8/c1-2-39-16-32-15-21(29)25(35)33(28(32)38)24(34)18-9-6-10-19(13-18)27(37)41-23-20(14-30)11-12-22(31-23)40-26(36)17-7-4-3-5-8-17/h3-13,15H,2,16H2,1H3
SMILES (canonical and isomeric)
CCOCN1C=C(C(=O)N(C1=O)C(=O)C2=CC(=CC=C2)C(=O)OC3=C(C=CC(=N3)OC(=O)C4=CC=CC=C4)C#N)F

Synonyms

  • Last-F
  • Benzoic acid, 3-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • 3-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • emitefurum
  • 3 (3-(6-benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil
  • 3-(3-(6-Benzoyloxy-3-cyrano-2-pyridyloxycarbonyl)benzoyl)-1-(ethoxymethyl)-5-fluorouracil
  • ((Ethoxymethyl-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic Acid, 6-(Benzoyloxy)-3-cyano-2-pyridinyl Ester
  • (2) m-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic Acid, 2-Ester with 2,6-Dihydroxynicotinonitrile Benzoate (Ester)
  • (6-benzoyloxy-3-cyanopyridin-2-yl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
  • 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil
  • m-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 2-ester with 2,6-dihydroxynicotinonitrile benzoate (ester)
  • Lastf
  • 3-[3-(6-benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl]-1-ethoxymethyl-5-fluorouracil
  • Emitefur (USAN/INN)
  • 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5- fluorouracil
  • Benzoic acid, 3-((3-(etoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • Benzoic acid,3-[[3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • m-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 2-ester with 2,6-dihydroxynicotinonitrile, benzoate
  • (6-benzoyloxy-3-cyano-2-pyridinyl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
  • 6-(benzoyloxy)-3-cyanopyridin-2-yl 3-(3-(ethoxymethyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-1-carbonyl)benzoate
  • 6-(Benzoyloxy)-3-cyanopyridin-2-yl 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-3,6-dihydropyrimidine-1(2H)-carbonyl]benzoate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
558.48 g/molcalc.
Exact mass
558.1187 Dacalc.
LogP (octanol/water)
2.54calc.
Topological polar surface area
159.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.11calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Oc1cccc(OC(=O)c2cccc(C(=O)n3c(=O)cc[nH]c3=O)c2)n1)c1ccccc1

O=C(Oc1cccc(OC(=O)c2cccc(C(=O)n3c(=O)cc[nH]c3=O)c2)n1)c1ccccc1

4 rings, 34 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Emitefur suppliers

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Emitefur price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Emitefur is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Emitefur is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Emitefur, based on the data on this page

What is Emitefur?

Emitefur is an orally available antimetabolite composed of the 1-ethoxymethyl derivative of 5-fluorouracil (5-FU) and the dihydropyrimidine dehydrogenase (DPYD) inhibitor 3-cyano-2,6-dihydroxypyridine (CNDP) in a 1:1 molar ratio, with antineoplastic activity.

What is the CAS number of Emitefur?

The CAS registry number of Emitefur is 110690-43-2.

What is the molecular formula and weight of Emitefur?

The molecular formula of Emitefur is C28H19FN4O8 and its molar mass is 558.48 g/mol.

What is Emitefur used for?

Known uses and roles of Emitefur include building blocks in research and laboratory, screening compounds in research and laboratory and antineoplastic agents.

Is Emitefur hazardous?

No GHS hazard classification for Emitefur is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Emitefur?

Emitefur is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Emitefur?

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What is the price of Emitefur?

Suppliers quote Emitefur on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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