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SML0653 Sigma-Aldrich

Capecitabine

≥98% (HPLC)

Synonym: 5′-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine, Ro-9-1978

  • CAS Number 154361-50-9

  • Empirical Formula (Hill Notation) C15H22FN3O6

  • Molecular Weight 359.35

  •  MDL number MFCD00930626

  •  PubChem Substance ID 329825576

  •  NACRES NA.77

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Properties

Related Categories Apoptosis and Cell Cycle, Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, C-CH, Cell Biology,
Quality Level   100
assay   ≥98% (HPLC)
form   powder
color   white to beige
solubility   H2O: 10 mg/mL, clear (warmed)
storage temp.   2-8°C
SMILES string   O[C@H]1[C@@H](O)[C@H](N2C(N=C(NC(OCCCCC)=O)C(F)=C2)=O)O[C@@H]1C
InChI   1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
InChI key   GAGWJHPBXLXJQN-UORFTKCHSA-N
Gene Information   human ... TYMS(7298)

Description

Packaging

10, 50 mg in glass bottle

Biochem/physiol Actions

Capecitabine is an anti-cancer drug, a prodrug of doxifluridine, metabolized to 5-fluorouracil at the tumor site. The activation of capecitabine follows a pathway with three enzymatic steps and two intermediary metabolites, 5′-Deoxy-5-fluorocytidine (5′-DFCR) and 5′-Deoxy-5-fluorouridine (5′-DFUR), to form 5-fluorouracil.

Features and Benefits

This compound is also offered as part of Sigma′s Library of Pharmacologically Active Compounds (LOPAC®1280), a biologically annotated collection of high-quality, ready-to-screen compounds. Click here to learn more.

Legal Information

LOPAC is a registered trademark of Sigma-Aldrich Co. LLC

Safety & Documentation

Safety Information

Symbol 
GHS08  GHS08
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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