ChemSpider 2D Image | LDN-212854 | C25H22N6

LDN-212854

  • Molecular FormulaC25H22N6
  • Average mass406.482 Da
  • Monoisotopic mass406.190582 Da
  • ChemSpider ID30828754

More details:

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

1432597-26-6 [RN]
5-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
5-{6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}chinolin [German] [ACD/IUPAC Name]
5-{6-[4-(1-Pipérazinyl)phényl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoléine [French] [ACD/IUPAC Name]
5-{6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline [ACD/IUPAC Name]
5-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline
LDN-212854
Quinoline, 5-[6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]- [ACD/Index Name]
[1432597-26-6] [RN]
5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under exclusive agreement from The Brigham and Women's Hospital Inc. US patent 14/776,302 Tocris Bioscience 6151

    • Target Organs:

      TGF-beta/Smad inhibitor TargetMol T1900

    • Bio Activity:

      ALK MedChem Express HY-15897
      ALK2 TargetMol T1900
      BMP and Other Activin Receptors Tocris Bioscience 6151
      Enzyme-Linked Receptors Tocris Bioscience 6151
      LDN-212854 is a novel BMP inhibitor that exhibits substantially greater selectivity for BMP versus the TGF-? type I receptors; possesses a bias towards ALK2(IC50=1.3 nM) versus ALK1 and ALK3 compared to other inhibitors.; IC50 value: 1.3 nM [1]; Target: ALK2 ; In vitro, LDN-212854 exhibits some selectivity for ALK2 in preference to other BMP type I receptors, ALK1 and ALK3, which may permit the interrogation of ALK2-mediated signaling, transcriptional activity and function. MedChem Express HY-15897
      Potent ALK inhibitor (IC50 values are 1.3, 2.4, 85.8, 2,133 and 9,276 nM for ALK2, ALK1, ALK3, ALK4 and ALK5, respectively). Exhibits selectivity for ALK2 over ALK4 and ALK5 in cellular assays. Inhibits heterotopic ossification in a mutant ALK2 mouse model of fibrodysplasia ossificans progressiva. Also exhibits activity against RIPK2, ABL1 and PDGFR-beta (IC50 values < 100 nM). Tocris Bioscience 6151
      Potent bone morphogenetic protein type I (ALK) inhibitor Tocris Bioscience 6151
      Protein Tyrosine Kinase/RTK MedChem Express HY-15897
      Protein Tyrosine Kinase/RTK; MedChem Express HY-15897
      Receptor Serine/Threonine Kinases (RSTKs) Tocris Bioscience 6151
      Tyrosine Kinase/Adaptors TargetMol T1900

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.60
Polar Surface Area: 58 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 304.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement