ChemSpider 2D Image | nemorubicin | C32H37NO13

nemorubicin

  • Molecular FormulaC32H37NO13
  • Average mass643.635 Da
  • Monoisotopic mass643.226501 Da
  • ChemSpider ID59316

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2S)-2-methoxymorpholin-4-yl]-α-L-lyxo-hexopyranoside
(1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-Trideoxy-3-((S)-2-methoxymorpholino)-a-L-lyxo-hexopyranoside
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2S)-2-methoxymorpholin-4-yl]-α-L-lyxo-hexopyranoside
(8S,10S)-6,8,11-TRIHYDROXY-10-{[(2R,4S,5S,6S)-5-HYDROXY-4-[(2S)-2-METHOXYMORPHOLIN-4-YL]-6-METHYLOXAN-2-YL]OXY}-8-(2-HYDROXYACETYL)-1-METHOXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
108852-90-0 [RN]
2,3,6-Tridésoxy-3-[(2S)-2-méthoxy-4-morpholinyl]-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
7618O47BQM
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7219 [DBID]
FCE 23762 [DBID]
FCE-23762 [DBID]
PNU-152243 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15794
      Cell Cycle/DNA Damage; MedChem Express HY-15794
      Microtubule/Tubulin MedChem Express HY-15794
      Nemorubicin(Methoxymorpholinyl doxorubicin; MMDX; PNU 152243) is a 3'-deamino-3'[2-(S)-methoxy-4-morpholinyl]derivative of doxorubicin, Nemorubici has the anticancer activity on human hepatocellular c arcinoma with an IC50 of 80 nM. MedChem Express
      Nemorubicin(Methoxymorpholinyl doxorubicin; MMDX; PNU 152243) is a 3'-deamino-3'[2-(S)-methoxy-4-morpholinyl]derivative of doxorubicin, Nemorubici has the anticancer activity on human hepatocellular carcinoma with an IC50 of 80 nM.; IC50 value: 80 nM [1]; Target: anticancer; in vitro: Methoxymorpholinyl doxorubicin (PNU 152243) is a morpholinyl analog possessing a methoxymorpholinyl group at the 3' position of the sugar moiety, which, compared with doxorubicin, appears to be less cardiotoxic and more cytotoxic against multidrug-resistant tumor cells. MedChem Express HY-15794
      Nemorubicin(Methoxymorpholinyl doxorubicin; MMDX; PNU 152243) is a 3'-deamino-3'[2-(S)-methoxy-4-morpholinyl]derivative of doxorubicin, Nemorubici has the anticancer activity on human hepatocellular carcinoma with an IC50 of 80 nM.;IC50 value: 80 nM [1];Target: anticancer;In vitro: Methoxymorpholinyl doxorubicin (PNU 152243) is a morpholinyl analog possessing a methoxymorpholinyl group at the 3' position of the sugar moiety, which, compared with doxorubicin, appears to be less cardiotoxic and more cytotoxic against multidrug-resistant tumor cells. In this study, we report the anticancer activity of PNU 152243 on human hepatocellular carcinoma (HCC) in vitro and in vivo. The average IC50 value of PNU was 0.08 microM [1]. Microsome-activated MMDX exhibited nanomolar IC(50) values in growth-inhibition assays of human tumor cell lines representing multiple tissues of origin: lung (A549 cells), brain (U251 cells), colon (LS180 cells), and breast (MCF-7 cells).MMDX cytotoxicity was subst MedChem Express HY-15794

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

Density: 1.6±0.1 g/cm3
Boiling Point: 852.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.2±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 21.12
ACD/KOC (pH 5.5): 276.25
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 9.81
ACD/KOC (pH 7.4): 128.31
Polar Surface Area: 202 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 413.3±5.0 cm3

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