ChemSpider 2D Image | UNC2250 | C24H36N6O2

UNC2250

  • Molecular FormulaC24H36N6O2
  • Average mass440.582 Da
  • Monoisotopic mass440.289978 Da
  • ChemSpider ID31130707

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r,4r)-4-{[2-(butylamino)-5-{5-[(morpholin-4-yl)methyl]pyridin-2-yl}pyrimidin-4-yl]amino}cyclohexan-1-ol
1493694-70-4 [RN]
Cyclohexanol, 4-[[2-(butylamino)-5-[5-(4-morpholinylmethyl)-2-pyridinyl]-4-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-4-({2-(Butylamino)-5-[5-(4-morpholinylmethyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-({2-(Butylamino)-5-[5-(4-morpholinylmethyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol [ACD/IUPAC Name]
trans-4-({2-(Butylamino)-5-[5-(4-morpholinylméthyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol [French] [ACD/IUPAC Name]
UNC2250
(1R,4r)-4-((2-(butylamino)-5-(5-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
(1r,4r)-4-(2-(butylamino)-5-(5-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-ylamino)cyclohexanol
(1r,4r)-4-{[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyrimidin-4-yl]amino}cyclohexan-1-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Others MedChem Express HY-15797
      UNC2250 is a phosphorylation of endogenous Mer inhibitor with an IC50 of 9.8 nM and blocked ligand-stimulated activation of a chimeric EGFR-Mer protein. MedChem Express
      UNC2250 is a phosphorylation of endogenous Mer inhibitor with an IC50 of 9.8 nM and blocked ligand-stimulated activation of a chimeric EGFR-Mer protein.; IC50 Value: 9.8 nM [1]; Target: Others; in vitro: UNC2250 is 160-fold more active for Mer versus Axl and 60-fold versus Tyro3. MedChem Express HY-15797
      UNC2250 is a phosphorylation of endogenous Mer inhibitor with an IC50 of 9.8 nM and blocked ligand-stimulated activation of a chimeric EGFR-Mer protein.;IC50 Value: 9.8 nM [1];Target: ;In vitro: UNC2250 is 160-fold more active for Mer versus Axl and 60-fold versus Tyro3. UNC2250 had a moderate half-life, clearance, and volume of distribution as well as reasonable oral bioavailability and good solubility and was thus chosen for characterization of kinase selectivity and further evaluation in cell-based studies of Mer activity. UNC2250 efficiently inhibited ligand-dependent phosphorylation of a chimeric protein consisting of the extracellular and transmembrane domains of the epidermal growth factor (EGF) receptor and the intracellular tyrosine kinase domain of Mer. Moreover, UNC2250 incubation inhibited colony formation in soft agar cultures of the BT-12 rhabdoid tumor and the Colo699 NSCLC cell lines. In the Colo699 NSCLC cell line, the concentrations of UNC2250 required to in MedChem Express HY-15797

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.4±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 29.88
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 22.90
ACD/KOC (pH 7.4): 319.04
Polar Surface Area: 95 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 359.7±3.0 cm3

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