ChemSpider 2D Image | Purmorphamine | C31H32N6O2

Purmorphamine

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

More details:

Featured data source
The Merck Index Online

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]
9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine
9H-Purin-6-amine, 9-cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)- [ACD/Index Name]
PB12M2F8KY
Purmorphamine [Wiki]
[483367-10-8] [RN]
[9-cyclohexyl-2-(1-naphthyloxy)purin-6-yl]-(4-morpholinophenyl)amine
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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

    • 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:

      <p>Smo receptor agonist that activates the Hedgehog (Hh) signaling pathway to induce osteogenesis in multipotent mesenchymal progenitor cells. Also promotes differentiation of pre-adipocytes and myoblasts into osteoblasts when use in combination with BMP-4.</p> <p>Frequently used to differentiate pluripotent stem cells (e.g. ESCs and iPSCs) to neural stem cells and defined neuronal populations such as motor neurons and midbrain dopaminergic neurons. Protocols often use puromorphamine in combination with <a title="CHIR99021, Hello Bio" href="/chir-99021.html">CHIR99021</a> (CHIR), <a title="SB431542 | Hello Bio" href="/sb-431542.html">SB431542</a> (SB), <a title="LDN193189, Hello Bio" href="/ldn193189-dihydrochloride.html">LDN193189</a> (LDN), <a title="XAV939, Hello Bio" href="/xav-939.html">XAV939</a>, <a title="Y-27632, Hello Bio" href="/y-27632-dihydrochloride.html">Y-27632</a>, <a title="DAPT, Hello Bio" href="/dapt.html">DAPT</a>, <a title="BDNF, Hello Bio" href="https://hellobio.com/bdnf.html">BDNF</a>, <a title="GDNF, Hello Bio" href="/recombinant-human-gdnf-protein.html">GDNF</a>, retinoic acid (RA) and <a title="Forskolin, Hello Bio" href="/forskolin.html">forskolin</a>).</p> Hello Bio HB3412
      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, version: 14.00

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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