ChemSpider 2D Image | WZ4003 | C25H29ClN6O3

WZ4003

  • Molecular FormulaC25H29ClN6O3
  • Average mass496.989 Da
  • Monoisotopic mass496.198975 Da
  • ChemSpider ID32689690

More details:






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

1214265-58-3 [RN]
MFCD28015100
N-[3-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-propanamide
N-{3-[(5-Chlor-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)oxy]phenyl}propanamid [German] [ACD/IUPAC Name]
N-{3-[(5-Chloro-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)oxy]phenyl}propanamide [ACD/IUPAC Name]
N-{3-[(5-Chloro-2-{[2-méthoxy-4-(4-méthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)oxy]phényl}propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[3-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]- [ACD/Index Name]
WZ4003
[1214265-58-3]
DAPH |
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      DMSO 5 mg/mL; Water <1 mg/mL MedChem Express HY-15802
      in DMSO MedChem Express HY-15802
      Soluble in 0.1N HCl(aq) and DMSO Axon Medchem 2385
      Soluble to 50 mM in 1eq. HCl and to 20 mM in DMSO with gentle warming Tocris Bioscience 5177
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2385
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2385
      no pictogram Axon Medchem 2385
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2385
      Warning Axon Medchem 2385
    • Bio Activity:

      AMPK MedChem Express HY-15802
      Enzymes Tocris Bioscience 5177
      Kinases Tocris Bioscience 5177
      NUAK Tocris Bioscience 5177
      Other Kinases Tocris Bioscience 5177
      PI3K/Akt/mTOR MedChem Express HY-15802
      PI3K/Akt/mTOR; MedChem Express HY-15802
      Potent and selective NUAK1/2 inhibitor Tocris Bioscience 5177
      Potent and selective NUAK1/2 inhibitor (IC50 values are 20 and 100 nM respectively). Exhibits no significant inhibition against a panel of 139 kinases, including ten AMPK family members. Inhibits NUAK 1-mediated MYPT1 phosphorylation. Also inhibits cell proliferation in U2OS cells. Tocris Bioscience 5177
      Potent and selective NUAK1/2 inhibitor (IC50 values are 20 and 100 nM respectively). Exhibits no significant inhibition against a panel of 139 kinases, including ten AMPK family members. Inhibits NUAK1-mediated MYPT1 phosphorylation. Also inhibits cell proliferation in U2OS cells. Tocris Bioscience 5177
      WZ4003 is a first potent and highly specific protein kinase inhibitor of NUAK kinases with IC50 of 20 nM/100 nM for NUAK1/NUAK2; no significant inhibition on 139 other kinases. MedChem Express
      WZ4003 is a first potent and highly specific protein kinase inhibitor of NUAK kinases with IC50 of 20 nM/100 nM for NUAK1/NUAK2; no significant inhibition on 139 other kinases.; IC50 value: 20 nM/100 nM(NUAK1/2) [1]; Target: NUAK inhibitor; In all cell lines tested, WZ4003 and HTH-01-015 inhibit the phosphorylation of the only well-characterized substrate, MYPT1 (myosin phosphate-targeting subunit 1) that is phosphorylated by NUAK1 at Ser(445). MedChem Express HY-15802
      WZ4003 is a first potent and highly specific protein kinase inhibitor of NUAK kinases with IC50 of 20 nM/100 nM for NUAK1/NUAK2; no significant inhibition on 139 other kinases.;IC50 value: 20 nM/100 nM(NUAK1/2) [1];Target: NUAK inhibitor;In all cell lines tested, WZ4003 and HTH-01-015 inhibit the phosphorylation of the only well-characterized substrate, MYPT1 (myosin phosphate-targeting subunit 1) that is phosphorylated by NUAK1 at Ser(445). We also identify a mutation (A195T) that does not affect basal NUAK1 activity, but renders it ~50-fold resistant to both WZ4003 and HTH-01-015. Administration of WZ4003 and HTH-01-015 to MEFs (mouse embryonic fibroblasts) significantly inhibits migration in a wound-healing assay to a similar extent as NUAK1-knockout. WZ4003 and HTH-01-015 also inhibit proliferation of MEFs to the same extent as NUAK1 knockout and U2OS cells to the same extent as NUAK1 shRNA knockdown. MedChem Express HY-15802

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 8.91
ACD/KOC (pH 5.5): 45.33
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 375.40
ACD/KOC (pH 7.4): 1910.86
Polar Surface Area: 92 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 381.4±3.0 cm3

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