ChemSpider 2D Image | Midostaurin | C35H30N4O4

Midostaurin

  • Molecular FormulaC35H30N4O4
  • Average mass570.637 Da
  • Monoisotopic mass570.226685 Da
  • ChemSpider ID8005258

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

120685-11-2 [RN]
4'-N-benzoylstaurosporine
Benzamide, N-[(6S,7R,8R,10R)-7,8,9,10,17,18-hexahydro-7-methoxy-6-methyl-16-oxo-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]
ID912S5VON
Midostaurin [INN] [USAN] [Wiki]
midostaurina [Spanish] [INN]
midostaurine [French] [INN]
midostaurinum [Latin] [INN]
N-[(2S,3R,4R,6R)-3-Methoxy-2-methyl-16-oxo-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-oxo-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 [ACD/IUPAC Name]
More...

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

7677 [DBID]
CGP 41251 [DBID]
PKC 412 [DBID]
CGP-41251 [DBID]
PKC-412 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An organic heterooctacyclic compound that is the <element>N</element>-benzoyl derivative of staurosporine. ChEBI CHEBI:63452
      An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63452, CHEBI:63452

    • Bio Activity:

      Broad spectrum protein kinase inhibitor. Inhibits conventional PKC isoforms (?, ?, ?), PDFR?, VEGFR2, Syk, PKC?, Flk-1, Flt3, Cdk1/B, PKA, c-Kit, c-Fgr, c-Src, VEGFR1 and EGFR. Displays potent antitum or activity. Tocris Bioscience 2992
      Broad spectrum protein kinase inhibitor. Inhibits conventional PKC isoforms (?, ?, ?), PDFR?, VEGFR2, Syk, PKC?, Flk-1, Flt3, Cdk1/B, PKA, c-Kit, c-Fgr, c-Src, VEGFR1 and EGFR. Displays potent antitumor activity. Tocris Bioscience 2992
      Broad spectrum protein kinase inhibitor. Inhibits conventional PKC isoforms (alpha, beta, gamma), PDFRbeta, VEGFR2, Syk, PKCeta, Flk-1, Flt3, Cdk1/B, PKA, c-Kit, c-Fgr, c-Src, VEGFR1 and EGFR. Displays potent antitumor activity. Tocris Bioscience 2992
      Enzymes Tocris Bioscience 2992
      Kinases Tocris Bioscience 2992
      PKC MedChem Express HY-10230
      PKC412(Midostaurin; CGP41231; CGP41251) is a broad spectrum protein kinase inhibitor; inhibits conventional PKC isoforms (?, ?, ?), PDFR?, VEGFR2, Syk, PKC?, Flk-1, Flt3, Cdk1/B, PKA, c-Kit, c-Fgr, c-Src, VEGFR1 and EGFR.; IC50 value:; Target: Multikinase inhibitor; in vitro: PKC412 showed a broad antiproliferative activity against various tumor and normal cell lines in vitro, and was able to reverse the Pgp-mediated multidrug resistance of tumor cells in vitro. MedChem Express HY-10230
      Protein Kinase C Tocris Bioscience 2992
      Protein kinase C inhibitor Tocris Bioscience 2992
      TGF-beta/Smad MedChem Express HY-10230
      TGF-beta/Smad; MedChem Express HY-10230

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.770
Molar Refractivity: 160.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2586.57
ACD/KOC (pH 5.5): 9647.70
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2586.57
ACD/KOC (pH 7.4): 9647.71
Polar Surface Area: 78 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 385.7±7.0 cm3

Click to predict properties on the Chemicalize site


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