Capecitabine
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Category | Antineoplastic |
Catalog number | BBF-05852 |
CAS | 154361-50-9 |
Molecular Weight | 359.35 |
Molecular Formula | C15H22FN3O6 |
Purity | ≥98% by HPLC |
Catalog Number | Size | Price | Stock | Quantity |
---|---|---|---|---|
BBF-05852 | 10 g | $199 | In stock |
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Fermentation Lab
4 R&D and scale-up labs
2 Preparative purification labs
Fermentation Plant
Semi pilot, pilot and industrial plant 4 Manufacturing sites 7 Production lines at pilot scale 100+ Reactors of 30-4000 L; 170+ reactors of 20 KL-30 KL; 24+ reactors of >100 KL 2 Hydrogenation reactors (200 L, 4Mpa and 1000L, 4Mpa)
Product Description
Capecitabine inhibits tumor growth and metastatic recurrence after resection of human hepatocellular carcinoma (HCC) in highly metastatic nude mice model. It is a chemotherapy medication used to treat breast cancer, gastric cancer and colorectal cancer.
- Specification
- Properties
- Toxicity
- Reference Reading
- Spectrum
- Price Product List
- QC Data
Related CAS | 158798-73-3 (Deleted CAS) 958887-39-3 (Deleted CAS) |
Synonyms | 5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; [1-(5-Deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]carbamic Acid Pentyl Ester; Capecytabine; Capiibine; Captabin; Ro 09-1978; Xeloda; Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate |
Storage | Store at -20°C |
IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
Canonical SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
InChI | 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 |
Appearance | White to Beige Solid |
Antibiotic Activity Spectrum | Neoplastics (Tumor) |
Boiling Point | 427.4±55.0°C (Predicted) |
Melting Point | 119-121°C |
Density | 1.57±0.1 g/cm3 (Predicted) |
Solubility | Soluble in Chloroform (Slightly), Methanol (Slightly) |
LogP | 0.4 |
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | Capecitabine is a prodrug that is selectively tumour-activated to its cytotoxic moiety, fluorouracil, by thymidine phosphorylase. Fluorouracil is further metabolized to two active metabolites, 5-fluoro-2-deoxyuridine monophosphate (FdUMP) and 5-fluorouridine triphosphate (FUTP), within normal and tumour cells. FdUMP inhibits DNA synthesis by reducing normal thymidine production, while FUTP inhibits RNA and protein synthesis by competing with uridine triphosphate.3 The active moiety of capecitabine, fluorouracil, is cell cycle phase-specific (Sphase). Both normal and tumor cells metabolize 5-FU to 5-fluoro-2-deoxyuridine monophosphate (FdUMP) and 5-fluorouridine triphosphate (FUTP). These metabolites cause cell injury by two different mechanisms. First, FdUMP and the folate cofactor, N5-10-methylenetetrahydrofolate, bind to thymidylate synthase (TS) to form a covalently bound ternary complex. This binding inhibits the formation of thymidylate from 2'-deaxyuridylate. Thymidylate is the necessary precursor of thymidine triphosphate, which is essential for the synthesis of DNA, so that a deficiency of this compound can inhibit cell division. Second nuclear transcriptional enzymes can mistakenly incorporate FUTP in place of uridine triphosphate (UTP) during the synthesis of RNA. This metabolic error can interfere with RNA processing and protein synthesis. |
Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive

Experimental Conditions
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C15H22FN3O6
Molecular Weight (Monoisotopic Mass): 359.1493 Da
Molecular Weight (Avergae Mass): 359.3501 Da
LC-MS/MS Spectrum - LC-ESI-QFT , negative

Experimental Conditions
Ionization Mode: negative
Predicted LC-MS/MS Spectrum - 10V, Positive

Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C15H22FN3O6
Molecular Weight (Monoisotopic Mass): 359.1493 Da
Molecular Weight (Avergae Mass): 359.3501 Da
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
