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Heterocyclic building blocks

Roducitabine

Also known as fluorocyclopentenylcytosine, 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one, fluorocyclopentenyl cytosine

CAS 865838-26-2Formula C10H12FN3O4Molar mass 257.22 g/mol
1 supplier listed
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Roducitabine chemical structure, C10H12FN3O4, CAS 865838-26-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
865838-26-2
Formula
C10H12FN3O4
Molar mass
257.22 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Roducitabine?

Plain description, key identifiers and synonyms

Roducitabine is a triol that is (1S,2R)-4-fluoro-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol which is substituted by a 4-amino-2-oxopyrimidin-1(2H)-yl group at position 5. It is a cytidine analog which exhibits anticancer activity in several cancers, including gemcitabine-resistant tumours. It has a role as an antimetabolite, an antineoplastic agent, a prodrug, a DNA synthesis inhibitor and an apoptosis inducer. It is a primary allylic alcohol, a triol and an organofluorine compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
CAS number
865838-26-2
Molecular formula
C10H12FN3O4
UNII
0Z4A82I0JO
MDL number
MFCD28502078
InChIKey
QLLGKCJUPWYJON-HLTSFMKQSA-N
InChI
InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1
Canonical SMILES
Nc1ccn(C2C(F)=C(CO)C(O)C2O)c(=O)n1
Isomeric SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(=C2F)CO)O)O

Synonyms

  • fluorocyclopentenylcytosine
  • 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
  • fluorocyclopentenyl cytosine
  • fluorocyclopentenyl-cytosine
  • 4-Amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone
  • 4-Amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)pyrimidin-2(1H)-one
  • 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,2-dihydropyrimidin-2-one
  • Roducitabine (USAN)
  • 1-[(1S,4R,5S)-2-Fluoro-3-(hydroxymethyl)-4,5-dihydroxy-2-cyclopentenyl]cytosine
  • 4-Amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-2(1H)-pyrimidinone
  • 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2(1H)-one
  • 2(1H)-pyrimidinone, 4-amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-
  • 4-Amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)pyrimidin-2-one
  • 1-((1S,4R,5S)-2-fluoro-3-(hydroxymethyl)-4,5-dihydroxy-2-cyclopentenyl)cytosine
  • 4-amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)-1,2-dihydropyrimidin-2-one
  • Cytidine Analog RX-3117
  • RX 3117
  • Roducitabine, RX3117
  • WHO 11374
  • RX-3117fluorocyclopentenylcytosine, TV-1360
  • 4-Amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl) cyclopent-2-en-1-yl) pyrimidin-2-one
  • 4-amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-cyclopent-2-en-1-yl)-pyrimidin-2(1H)-one

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
257.22 g/molcalc.
Exact mass
257.0812 Dacalc.
LogP (octanol/water)
-1.68calc.
Topological polar surface area
121.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)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=c1ncccn1C1C=CCC1

O=c1ncccn1C1C=CCC1

2 rings, 12 atoms.

8 other chemicals share 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.

Roducitabine suppliers

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Where suppliers are based

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Roducitabine 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

Roles

  • DNA synthesis inhibitor
  • antimetabolite
  • antineoplastic agent
  • apoptosis inducer
  • enzyme inhibitor
  • pathway inhibitor
  • pharmaceutical
  • pro-agent
  • prodrug

Pharmacology

Roducitabine is an orally available small molecule and nucleoside antimetabolite with potential antineoplastic activity. Upon administration, roducitabine is taken up by cells through a carrier-mediated transporter, phosphorylated by uridine cytidine kinase (UCK) and then further phosphorylated to its diphosphate (RX-DP) and triphosphate forms (RX-TP). The triphosphate form is incorporated into RNA and inhibits RNA synthesis. The diphosphate RX-DP is reduced by ribonucleotide reductase (RR) to dRX-DP, its triphosphate form (dRX-TP) is incorporated into DNA. In addition, roducitabine also inhibits DNA methyltransferase 1 (DNMT1). This eventually leads to cell cycle arrest and the induction of apoptosis. UCK is the rate-limiting enzyme in the pyrimidine-nucleotide salvage pathway.

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 Roducitabine 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 Roducitabine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Roducitabine?

Roducitabine is a triol that is (1S,2R)-4-fluoro-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol which is substituted by a 4-amino-2-oxopyrimidin-1(2H)-yl group at position 5. It is a cytidine analog which exhibits anticancer activity in several cancers, including gemcitabine-resistant tumours.

What is the CAS number of Roducitabine?

The CAS registry number of Roducitabine is 865838-26-2.

What is the molecular formula and weight of Roducitabine?

The molecular formula of Roducitabine is C10H12FN3O4 and its molar mass is 257.22 g/mol.

What is Roducitabine used for?

Known uses and roles of Roducitabine include building blocks in research and laboratory, screening compounds in research and laboratory, dna synthesis inhibitor, antimetabolite, antineoplastic agent and 6 more.

Is Roducitabine hazardous?

No GHS hazard classification for Roducitabine 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 Roducitabine?

Roducitabine 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 Roducitabine?

CompoundList lists 1 supplier of Roducitabine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Roducitabine?

Suppliers quote Roducitabine 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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