2′,2′-Difluorodeoxyuridine-13C,15N2（Cat No.:S000455） is a labeled variant of 2′,2′-difluorodeoxyuridine (also known as gemcitabine), where the carbon is labeled with carbon-13 (13C) and two nitrogen atoms are labeled with nitrogen-15 (15N2). This modification is used in molecular research to trace and study the drug’s absorption, distribution, metabolism, and excretion processes. Gemcitabine is a nucleoside analog used as a chemotherapy agent, primarily for treating various cancers including pancreatic, breast, and non-small cell lung cancer. It works by incorporating it into DNA and blocking the progression of DNA synthesis, which inhibits tumor growth. The isotopic labeling helps in understanding the drug’s detailed pharmacokinetics and its interactions at the molecular level.
| Catalog Number | S000455 |
| CAS Number | 1233921-75-9 |
| Molecular Formula | C813CH10F215N2O5 |
| Purity | 95% |
| IUPAC Name | 1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidine-2,4-dione |
| InChI | InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)/t4-,6-,7-/m1/s1/i8+1,12+1,13+1 |
| InChIKey | FIRDBEQIJQERSE-TZHUGDOOSA-N |
| SMILES | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F |
