ChemSpider 2D Image | Ravoxertinib | C21H18ClFN6O2

Ravoxertinib

  • Molecular FormulaC21H18ClFN6O2
  • Average mass440.858 Da
  • Monoisotopic mass440.116394 Da
  • ChemSpider ID32501977

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(1S)-1-(4-Chlor-3-fluorphenyl)-2-hydroxyethyl]-4-{2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl}-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1-[(1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl}-2(1H)-pyridinone [ACD/IUPAC Name]
1-[(1S)-1-(4-Chloro-3-fluorophényl)-2-hydroxyéthyl]-4-{2-[(1-méthyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl}-2(1H)-pyridinone [French] [ACD/IUPAC Name]
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(1-methyl-1H-pyrazol-5-yl)amino]pyrimidin-4-yl}-1,2-dihydropyridin-2-one
1453848-26-4 [RN]
2(1H)-Pyridinone, 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]- [ACD/Index Name]
R6AXV96CRH
ravoxertinib [French] [INN]
ravoxertinib [Spanish] [INN]
Ravoxertinib [INN] [USAN]
More...

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

10386 [DBID]
GDC0994 [DBID]
GDC-0994 [DBID]
RG-7842 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      ERK MedChem Express HY-15947
      GDC-0994 is highly selective for ERK1 and ERK2, with biochemical potency of 1.1 nM and 0.3 nM, respectively. MedChem Express
      GDC-0994 is highly selective for ERK1 and ERK2, with biochemical potency of 1.1 nM and 0.3 nM, respectively.; IC50 value: 1.1 nM/0.3 nM(ERK1/ERK2) [1]; Target: ERK1/ERK2 inhibitor; Daily, oral dosing of GDC-0994 results in significant single-agent activity in multiple in vivo cancer models, including KRAS-mutant and BRAF-mutant human xenograft tumors in mice. MedChem Express HY-15947
      GDC-0994 is highly selective for ERK1 and ERK2, with biochemical potency of 1.1 nM and 0.3 nM, respectively.;IC50 value: 1.1 nM/0.3 nM(ERK1/ERK2) [1];Target: ERK1/ERK2 inhibitorDaily, oral dosing of GDC-0994 results in significant single-agent activity in multiple in vivo cancer models, including KRAS-mutant and BRAF-mutant human xenograft tumors in mice. PD biomarker inhibition of phospho-p90RSK in these tumors correlates with potency in vitro and in vivo. In contrast to other published ERK inhibitors, GDC-0994 neither increases nor decreases phospho-ERK, suggesting that different ERK inhibitors have alternative mechanisms of action with respect to feedback signaling. Furthermore, we demonstrate a novel approach for targeting the oncogenic signaling through the RAS pathway by combining ERK and MEK inhibitors. GDC-0994 is currently in Phase I clinical development. MedChem Express HY-15947
      MAPK MedChem Express HY-15947
      MAPK; MedChem Express HY-15947

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.0±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 115.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.50
ACD/KOC (pH 5.5): 301.63
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.69
ACD/KOC (pH 7.4): 304.42
Polar Surface Area: 96 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 302.7±7.0 cm3

Click to predict properties on the Chemicalize site


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