ChemSpider 2D Image | HG-9-91-01 | C32H37N7O3

HG-9-91-01

  • Molecular FormulaC32H37N7O3
  • Average mass567.681 Da
  • Monoisotopic mass567.295776 Da
  • ChemSpider ID34980873

More details:






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

1456858-58-4 [RN]
Acide N-(2,4-diméthoxyphényl)-N'-(2,6-diméthylphényl)-N-(6-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)carbamimidique [French] [ACD/IUPAC Name]
HG-9-91-01
Methanol, 1-[(2,4-dimethoxyphenyl)[6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-1-[(2,6-dimethylphenyl)imino]-, (E)- [ACD/Index Name]
N-(2,4-Dimethoxyphenyl)-N'-(2,6-dimethylphenyl)-N-(6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)carbamimidic acid [ACD/IUPAC Name]
N-(2,4-Dimethoxyphenyl)-N'-(2,6-dimethylphenyl)-N-(6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)carbamimidsäure [German] [ACD/IUPAC Name]
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-(6-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)urea
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
HY-15776
MFCD28167714
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. ChEBI CHEBI:133818
    • Bio Activity:

      HG-9-91-01 is a potent and highly selective salt-inducible kinase (SIKs) inhibitor with IC50s of 0.92 nM, 6.6 nM and 9.6 nM for SIK1, SIK2 and SIK3 respectively. MedChem Express
      HG-9-91-01 is a potent and highly selective salt-inducible kinase (SIKs) inhibitor with IC50s of 0.92 nM, 6.6 nM and 9.6 nM for SIK1, SIK2 and SIK3 respectively.; IC50 Value: 0.92/6.6/9.6 nM (SIK1; SIK2; Sik3) [1]; Target: SIKs; Inhibition of the SIKs by HG-9-91-01 can stimulate IL-10 production and suppress proinflammatory cytokine production. MedChem Express HY-15776
      HG-9-91-01 is a potent and highly selective salt-inducible kinase (SIKs) inhibitor with IC50s of 0.92 nM, 6.6 nM and 9.6 nM for SIK1, SIK2 and SIK3 respectively.;IC50 Value: 0.92/6.6/9.6 nM (SIK1; SIK2; Sik3) [1];Target: SIKs;Inhibition of the SIKs by HG-9-91-01 can stimulate IL-10 production and suppress proinflammatory cytokine production. Reduced expression of SIK1, SIK2, and SIK3 consistently sensitized macrophages to HG-9-91-01, with suboptimal concentrations of HG-9-91-01 inducing a fourfold higher expression of IL-10 mRNA in SIK-depleted macrophages compared with wild-type (WT) macrophages. MedChem Express HY-15776
      Immunology/Inflammation MedChem Express HY-15776
      Immunology/Inflammation; MedChem Express HY-15776
      Salt-inducible Kinases (SIKs) MedChem Express HY-15776

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

Density: 1.2±0.1 g/cm3
Boiling Point: 779.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.3±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 16.21
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 69.03
ACD/KOC (pH 7.4): 285.90
Polar Surface Area: 99 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 461.3±7.0 cm3

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