ChemSpider 2D Image | Purmorphamine | C31H32N6O2

Purmorphamine

  • Molecular FormulaC31H32N6O2
  • Average mass520.625 Da
  • Monoisotopic mass520.258667 Da
  • ChemSpider ID4447411

More details:



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

483367-10-8 [RN]
9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthyloxy)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthyloxy)-9H-purin-6-amine [ACD/IUPAC Name]
9-Cyclohexyl-N-[4-(4-morpholinyl)phényl]-2-(1-naphtyloxy)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)- [ACD/Index Name]
PB12M2F8KY
Purmorphamine [Wiki]
[483367-10-8]
[9-cyclohexyl-2-(1-naphthyloxy)purin-6-yl]-(4-morpholinophenyl)amine
2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
nchembio753-comp3 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1690
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1690
      no pictogram Axon Medchem 1690
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1690
      Warning Axon Medchem 1690
    • Target Organs:

      Hedgehog/Smoothened Receptor antagonist TargetMol T1810
    • Chemical Class:

      A member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group. ChEBI CHEBI:63053
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4551
      Purmorphamine, which directly binds and activates Smoothened, blocks BODIPY-cyclopamine binding to Smo with IC50 of ~ 1.5 ?M and also is an inducer of osteoblast differentiation with EC50 of 1 ?M.; IC50 value: 1.5 uM; Target: Smo; ; Purmorphamine, a purine derivative, is a Hedgehog agonist. MedChem Express HY-15108
      Smo MedChem Express HY-15108
      Smo receptor agonist Tocris Bioscience 4551
      Smoothened TargetMol T1810
      Smoothened (Smo) receptor agonist (EC50 ~ 1 ?M). Induces osteogenesis in mouse mesenchymal progenitor cells (C3H10T1/2). When combined with BMP-4, can transdifferentiate pre-adipocytes (3T3-L1) and my oblasts (C2C12) into osteoblasts. Induces differentiation of multipotent mesenchymal progenitor cells into osteoblasts. Tocris Bioscience 4551
      Smoothened (Smo) receptor agonist (EC50 ~ 1 ?M). Induces osteogenesis in mouse mesenchymal progenitor cells (C3H10T1/2). When combined with BMP-4, can transdifferentiate pre-adipocytes (3T3-L1) and myoblasts (C2C12) into osteoblasts. Induces differentiation of multipotent mesenchymal progenitor cells into osteoblasts. Tocris Bioscience 4551
      Smoothened (Smo) receptor agonist (EC50 ~ 1 muM). Induces osteogenesis in mouse mesenchymal progenitor cells (C3H10T1/2). When combined with BMP-4, can transdifferentiate pre-adipocytes (3T3-L1) and myoblasts (C2C12) into osteoblasts. Induces differentiation of multipotent mesenchymal progenitor cells into osteoblasts. Tocris Bioscience 4551
      Smoothened Receptors Tocris Bioscience 4551
      Stem Cell TargetMol T1810
      Wnt/Hedgehog/Notch MedChem Express HY-15108
      Wnt/Hedgehog/Notch; MedChem Express HY-15108

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

Density: 1.4±0.1 g/cm3
Boiling Point: 790.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.8±35.7 °C
Index of Refraction: 1.711
Molar Refractivity: 150.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5179.31
ACD/KOC (pH 5.5): 13971.81
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8031.19
ACD/KOC (pH 7.4): 21665.10
Polar Surface Area: 77 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 384.7±7.0 cm3

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