ChemSpider 2D Image | Aldoxorubicin | C37H42N4O13

Aldoxorubicin

  • Molecular FormulaC37H42N4O13
  • Average mass750.748 Da
  • Monoisotopic mass750.274841 Da
  • ChemSpider ID7986464

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1361644-26-9 [RN]
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, 2-[(1E)-1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphth acenyl]-2-hydroxyethylidene]hydrazide [ACD/Index Name]
Aldoxorubicin [INN] [USAN] [Wiki]
aldoxorubicina [Spanish] [INN]
aldoxorubicine [French] [INN]
aldoxorubicinum [Latin] [INN]
C28MV4IM0B
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene]-6-(2,5-dioxo-2,5-dihydro -1H-pyrrol-1-yl)hexanehydrazide [ACD/IUPAC Name]
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethyliden]-6-(2,5-dioxo-2,5-dihydro -1H-pyrrol-1-yl)hexanhydrazid [German] [ACD/IUPAC Name]
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}-2-hydroxyéthylidène]-6-(2,5-dioxo-2,5-dihydr o-1H-pyrrol-1-yl)hexanehydrazide [French] [ACD/IUPAC Name]
More...

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

9734 [DBID]
INNO-206 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Antibody-drug conjugates MedChem Express HY-16261
      Antibody-drug conjugates Topoisomerase MedChem Express HY-16261
      Antibody-drug conjugates/ADCs Related MedChem Express HY-16261
      Antibody-drug conjugates/ADCs Related; Cell Cycle/DNA Damage; MedChem Express HY-16261
      INNO-206 (Aldoxorubicin) is the 6-maleimidocaproyl hydrazone derivative prodrug of the anthracycline antibiotic doxorubicin (DOXO-EMCH) with antineoplastic activity. MedChem Express http://www.medchemexpress.com/diphenmanil-methylsulfate.html, HY-16261
      INNO-206 (Aldoxorubicin) is the 6-maleimidocaproyl hydrazone derivative prodrug of the anthracycline antibiotic doxorubicin (DOXO-EMCH) with antineoplastic activity. ;IC50 Value: N/A;Target: ADCs;TopoisomeraseFollowing intravenous administration, doxorubicin prodrug INNO-206 binds selectively to the cysteine-34 position of albumin via its maleimide moiety. Doxorubicin is released from the albumin carrier after cleavage of the acid-sensitive hydrazone linker within the acidic environment of tumors and, once located intracellularly, intercalates DNA, inhibits DNA synthesis, and induces apoptosis. Albumin tends to accumulate in solid tumors as a result of high metabolic turnover, rapid angiogenesis, hyervasculature, and impaired lymphatic drainage. Because of passive accumulation within tumors, this agent may improve the therapeutic effects of doxorubicin while minimizing systemic toxicity. In a phase I study, INNO-206 showed a good safety profile at doses up to 260 mg/m2 doxorubicin MedChem Express HY-16261

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 182.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.08
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 268 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 468.1±7.0 cm3

Click to predict properties on the Chemicalize site


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