ChemSpider 2D Image | idarubicin hydrochloride | C26H28ClNO9

idarubicin hydrochloride

  • Molecular FormulaC26H28ClNO9
  • Average mass533.955 Da
  • Monoisotopic mass533.145264 Da
  • ChemSpider ID552161

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

idarubicin hydrochloride
(1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside, hydrochloride
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside hydrochloride (1:1) [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosidhydrochlorid (1:1) [German] [ACD/IUPAC Name]
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside hydrochloride (1:1)
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside hydrochloride
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside hydrochloride (1:1)
(7S,9S)-9-Acetyl-7-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
(7S,9S)-9-Acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracen-5,12-dionhydrochlorid [German]
More...

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

IMI 30 [DBID]
D01747 [DBID]
IMI-30 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Therapeutical Effect:

      Antineoplastic Agents Sean Ekins

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-17381
      Cell Cycle/DNA Damage; MedChem Express HY-17381
      Idarubicin Hcl is an anthracycline antibiotic and a DNA topoisomerase II (topo II) inhibitor. MedChem Express http://www.medchemexpress.com/desmopressin.html, HY-17381
      Idarubicin Hcl is an anthracycline antibiotic and a DNA topoisomerase II (topo II) inhibitor. ;IC50 Value: 3.3 ng/mL(in MCF-7 cells).;Target: Topoisomerase II;In vitro: Idarubicin is about 57.5-fold and 25-fold more active, respectively. Idarubicin is able to overcome P-glycoprotein-mediated multidrug resistance. Idarubicin inhibits PMN superoxide radical formation. Idarubicin could be coupled to the monoclonal antibodies (anti-Ly-2.1, anti-L3T4, or anti-Thy-1) with retention of protein solubility and antibody activity. Idarubicin inhibits the proliferation of NALM-6 cells with an IC50 of 12 nM. Idarubicin inhibits CYP450 2D6. Idarubicin is much more effective than doxorubicin or epirubicin.;In vivo: Reduction of Idarubicin is dependent upon ketone reductases, and proceeds more stereoselectively than that of most ketones giving rise to the (13S)-epimer almost exclusively. The high stereospecificity in Idarubicin reduction might result from chiral induction due to the presence of MedChem Express HY-17381
      Topoisomerase MedChem Express HY-17381

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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