ChemSpider 2D Image | Gemcitabine hydrochloride | C9H12ClF2N3O4

Gemcitabine hydrochloride

  • Molecular FormulaC9H12ClF2N3O4
  • Average mass299.659 Da
  • Monoisotopic mass299.048431 Da
  • ChemSpider ID54752
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

122111-03-9 [RN]
2'-Deoxy-2',2'-difluorocytidine hydrochloride (1:1) [ACD/IUPAC Name]
2'-Desoxy-2',2'-difluorcytidinhydrochlorid (1:1) [German] [ACD/IUPAC Name]
2'-Désoxy-2',2'-difluorocytidine, chlorhydrate (1:1) [French] [ACD/IUPAC Name]
4-Amino-1-(2-deoxy-2,2-difluor-β-D-erythro-pentofuranosyl)pyrimidin-2(1H)-onhydrochlorid [German]
4-Amino-1-[(2R,4R,5R)-3,3-difluor-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-onhydrochlorid [German]
4-Amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone hydrochloride
4-Amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxyméthyl)tétrahydrofuran-2-yl]pyrimidin-2(1H)-one chlorhydrate [French]
4-Amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one hydrochloride
Cytidine, 2'-deoxy-2',2'-difluoro-, hydrochloride (1:1) [ACD/Index Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D01155 [DBID]
LY-188011 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 092359
    • Chemical Class:

      A 2'-deoxycytidine hydrochloriode having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine hydrochloride is used in the treatment of various carcino mas, including non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. ChEBI CHEBI:31647
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-B0003
      Cell Cycle/DNA Damage; MedChem Express HY-B0003
      Cell Metabolism Tocris Bioscience 3259
      Deoxycytidine analog that inhibits DNA synthesis. Metabolized to form gemcitabine triphosphate (dFdCTP) and gemcitabine diphosphate (dFdCDP). dFdCTD inhibits ribonucleotide reductase causing a reduction in cellular nucleotides. dFdCTP is incorporated in DNA resulting in DNA strand termination. Displays antitumor activity in vitro and in vivo. Tocris Bioscience 3259
      DNA synthesis inhibitor Tocris Bioscience 3259
      DNA, RNA and Protein Synthesis Tocris Bioscience 3259
      GemcitabineHcl (LY 188011 Hcl) is a DNA synthesis inhibitor with IC50 of 50 nM, 40 nM, 18 nM and 12 nM in PANC1, MIAPaCa2, BxPC3 and Capan2 cells, respectively. MedChem Express
      GemcitabineHcl (LY 188011 Hcl) is a DNA synthesis inhibitor with IC50 of 50 nM, 40 nM, 18 nM and 12 nM in PANC1, MIAPaCa2, BxPC3 and Capan2 cells, respectively.; IC50 Value: 50 nM( PANC1); 40 nM(MIAPaCa2); 18 nM(BxPC3 ); 12 nM(Capan2); Target: Nucleoside antimetabolite/analog; Gemcitabine is converted intracellularly to the active metabolites difluorodeoxycytidine di- and triphosphate (dFdCDP, dFdCTP). MedChem Express HY-B0003
      Nucleoside antimetabolite/analog MedChem Express HY-B0003

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site





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