ChemSpider 2D Image | K02288 | C20H20N2O4

K02288

  • Molecular FormulaC20H20N2O4
  • Average mass352.384 Da
  • Monoisotopic mass352.142303 Da
  • ChemSpider ID25058217

More details:






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

1431985-92-0 [RN]
3-[(6-Amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-phenol
3-[6-Amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol [German] [ACD/IUPAC Name]
3-[6-Amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol [ACD/IUPAC Name]
3-[6-Amino-5-(3,4,5-triméthoxyphényl)-3-pyridinyl]phénol [French] [ACD/IUPAC Name]
3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol
K02288
MFCD26936347
Phenol, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]- [ACD/Index Name]
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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
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2189
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2189
      no pictogram Axon Medchem 2189
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2189
      Warning Axon Medchem 2189
    • Target Organs:

      TGF-beta/Smad inhibitor TargetMol T1914
    • Bio Activity:

      ALK MedChem Express HY-12278
      ALK1/2/3/6 TargetMol T1914
      BMP and Other Activin Receptors Tocris Bioscience 4986
      Enzyme-Linked Receptors Tocris Bioscience 4986
      K02288 is a novel small molecule inhibitor of ALK1/2/3/6 with IC50s of 1.8/1.1/34.4/6.3 nM; specific for ALK1,2,3,6 over ALK4,5; inhibitor of BMP signaling. MedChem Express
      K02288 is a novel small molecule inhibitor of ALK1/2/3/6 with IC50s of 1.8/1.1/34.4/6.3 nM; specific for ALK1,2,3,6 over ALK4,5; inhibitor of BMP signaling.; IC50 value: 1.8/1.1/34.4/6.3 nM(ALK1/2/3/6) [1]; Tarhet: ALK2 inhibitor; K02288 is a highly selective 2-aminopyridinebased inhibitor K02288 with in vitro activity against ALK2 at low nanomolar concentrations similar to the current lead compound LDN-193189. MedChem Express HY-12278
      K02288 is a novel small molecule inhibitor of ALK1/2/3/6 with IC50s of 1.8/1.1/34.4/6.3 nM; specific for ALK1,2,3,6 over ALK4,5; inhibitor of BMP signaling.;IC50 value: 1.8/1.1/34.4/6.3 nM(ALK1/2/3/6) [1];Tarhet: ALK2 inhibitorK02288 is a highly selective 2-aminopyridinebased inhibitor K02288 with in vitro activity against ALK2 at low nanomolar concentrations similar to the current lead compound LDN-193189. K02288 specifically inhibited the BMP-induced Smad pathway without affecting TGF-b signaling and induced dorsalization of zebrafish embryos. MedChem Express HY-12278
      Potent and selective inhibitor of type I bone morphogenic protein (BMP) receptors (IC50 values are 1.1, 1.8, 6.4, 34.4, 220, 302 and 321 nM for ALK2, ALK1, ALK6, ALK3, ActRIIA, ALK4 and ALK5 respectiv ely). Reduces BMP4-induced Smad1/5/8 phosphorylation in vitro (IC50 = 100 nM) and induces dorsalization of zebrafish embryos. Tocris Bioscience 4986
      Potent and selective inhibitor of type I bone morphogenic protein (BMP) receptors (IC50 values are 1.1, 1.8, 6.4, 34.4, 220, 302 and 321 nM for ALK2, ALK1, ALK6, ALK3, ActRIIA, ALK4 and ALK5 respectively). Reduces BMP4-induced Smad1/5/8 phosphorylation in vitro (IC50 = 100 nM) and induces dorsalization of zebrafish embryos. Tocris Bioscience 4986
      Protein Tyrosine Kinase/RTK MedChem Express HY-12278
      Protein Tyrosine Kinase/RTK; MedChem Express HY-12278
      Receptor Serine/Threonine Kinases (RSTKs) Tocris Bioscience 4986
      Type 1 BMP receptor inhibitor Tocris Bioscience 4986
      Tyrosine Kinase/Adaptors TargetMol T1914

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 40.92
ACD/KOC (pH 5.5): 425.45
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.59
ACD/KOC (pH 7.4): 713.26
Polar Surface Area: 87 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

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