ChemSpider 2D Image | N-[(2S,3R,4R,6R)-3-Methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide | C35H28N4O5

N-[(2S,3R,4R,6R)-3-Methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide

  • Molecular FormulaC35H28N4O5
  • Average mass584.621 Da
  • Monoisotopic mass584.205994 Da
  • ChemSpider ID24606051
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Benzamide, N-[(6S,7R,8R,10R)-7,8,9,10,17,18-hexahydro-7-methoxy-6-methyl-16,18-dioxo-6,10-epoxy-6H,16H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-8-yl]-N-methyl- [ACD/Index Name]
N-[(2S,3R,4R,6R)-3-Methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4R,6R)-3-Methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamid e [ACD/IUPAC Name]
N-[(2S,3R,4R,6R)-3-Méthoxy-2-méthyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaén-4-yl]-N-méthylbenzamid e [French] [ACD/IUPAC Name]
N-[(2S,3R,4R,6R)-3-Methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
[154589-96-5]
[9S-(9a,10b,11b,13a)]-N-(2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-1,3-dioxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl)-N-methylbenzamide
154589-96-5 [RN]
Bradykinin (1-8) |
MFCD14635443
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Biology Tocris Bioscience 3741
      Inhibits NME2 nuclear translocation; primes ESCs for differentiation Tocris Bioscience 3741
      Other Transcription Factors Tocris Bioscience 3741
      Others MedChem Express HY-15126
      Signal Transduction Tocris Bioscience 3741
      Small molecule that primes embryonic stem cells (ESCs) for differentiation. Interacts with NME2 and inhibits its nuclear translocation. Increases the efficiency of directed differentiation of mouse an d human ESCs in vitro. Tocris Bioscience 3741
      Small molecule that primes embryonic stem cells (ESCs) for differentiation. Interacts with NME2 and inhibits its nuclear translocation. Increases the efficiency of directed differentiation of mouse and human ESCs in vitro. Tocris Bioscience 3741
      Stauprimide is a small molecule that increases the efficiency of the directed differentiation of mouse and human ESCs; interacts with NME2 and inhibits its nuclear localization. MedChem Express
      Stauprimide is a small molecule that increases the efficiency of the directed differentiation of mouse and human ESCs; interacts with NME2 and inhibits its nuclear localization.; IC50 value:; Target: ESCs modulaotr; Stauprimide inhibits the nuclear localization of NME2, blocking and downregulating c-Myc expression. MedChem Express HY-15126
      Stauprimide is a small molecule that increases the efficiency of the directed differentiation of mouse and human ESCs; interacts with NME2 and inhibits its nuclear localization.;IC50 value:;Target: ESCs modulaotrStauprimide inhibits the nuclear localization of NME2, blocking and downregulating c-Myc expression. The expression of c-Myc is crucial for embryonic stem cell self-renewal, and intervention by Stauprimide allows for more efficient lineage-specific differentiation. NME2 is also indicated to be upregulated in certain cancers, indicating further application for the blocking action of Stauprimide. MedChem Express HY-15126
      Transcription Factors Tocris Bioscience 3741

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.783
Molar Refractivity: 161.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5627.42
ACD/KOC (pH 5.5): 16828.75
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5585.14
ACD/KOC (pH 7.4): 16702.30
Polar Surface Area: 95 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 382.9±7.0 cm3

Click to predict properties on the Chemicalize site





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