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RX-3117

CAT: 0931-T16813-04Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T16813-04Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
865838-26-2
Target
Apoptosis, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Apoptosis
Purity
0.9955
Bioactivity
RX-3117 (fluorocyclopentenylcytosine) is a novel a cytidine analog. RX-3117 displays anticancer activity in several cancer cell lines, including gemcitabine-resistant variants.
Smiles
Nc1ccn([C@H]2[C@H](O)[C@H](O)C(CO)=C2F)c(=O)n1
Molecular Formula
C10H12FN3O4
Molecular Weight
257.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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. 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.

CAS Number865838-26-2
PubChem CID11242315
IUPAC Name4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
Molecular FormulaC10H12FN3O4
Molecular Weight257.22
XLogP-2.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity474
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(=C2F)CO)O)O
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
InChIKey
QLLGKCJUPWYJON-HLTSFMKQSA-N
Chemical Structure
2D Structure
2D structure of Roducitabine
CAS: 865838-26-2
CID: 11242315
Formula: C10H12FN3O4
MW: 257.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.22
XLogP3-2.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass257.08118403
Monoisotopic Mass257.08118403
Topological Polar Surface Area119 Ų
Heavy Atom Count18
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA2925-2RX-3117
A21259-2RX-3117 2mg
A21259-25RX-3117 25mg
A21259-10RX-3117 10mg
A21259-1RX-3117 1mg
A21259-100RX-3117 100mg
A21259-50RX-3117 50mg
A21259-5RX-3117 5mg
MBS130757-01RX-3117(TV-1360; Fluorocyclopentenylcytosine)
A21259-10mM-DRX-3117 10mM * 1mL in DMSO

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