Gemcitabine-13C,15N2 (hydrochloride)

Gemcitabine-13C,15N2 is intended for use as an internal standard for the quantification of gemcitabine (Cay-11690, Cay-9003096) by GC- or LC-MS. Gemcitabine is an active metabolite of the gemcitabine prodrugs NUC-1031 (Cay-9003247) and gemcitabine elaidate (Cay-28303) and a prodrug form of gemcitabine di- and triphosphates. Gemcitabine is phosphorylated by intracellular kinases to the intermediate metabolite gemcitabine monophosphate (Cay-31726) and the active di- and triphosphate forms. It is cytotoxic to HepG2 hepatocellular carcinoma and A549 non-small cell lung cancer (NSCLC) cells (IC50s = 5.2 and 16 nM, respectively) and inhibits tumor growth in various breast, colon, lung, and pancreatic cancer mouse xenograft models. Gemcitabine (12 mg/kg) sensitizes tumors to antibodies targeting programmed cell death protein 1 (PD-1), decreases the number of tumor-infiltrating regulatory T cells (Tregs), and increases survival in an MC-38 syngeneic mouse model of colon carcinoma. Formulations containing gemcitabine have been used in the treatment of cancer.Formal Name: 2'-deoxy-2',2'-difluoro-cytidine-2-13C-1,3-15N2, monohydrochloride. CAS Number: 2757566-59-7. Synonyms: dFdC. Molecular Formula: C8[13C]H11F2N[15N2]O4 . HCl. Formula Weight: 302.6. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Water: Soluble. SMILES: OC[C@@H]1[C@@H](O)C(F)(F)[C@H]([15N]2C=CC(N)=[15N][13C]2=O)O1.Cl. InChi Code: InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17,/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17),1H/t4-,6-,7-,/m1./s1/i8+1,13+1,14+1,. InChi Key: OKKDEIYWILRZIA-ACCKZTSYSA-N.