ChemSpider 2D Image | ADW742 | C28H31N5O

ADW742

  • Molecular FormulaC28H31N5O
  • Average mass453.579 Da
  • Monoisotopic mass453.252869 Da
  • ChemSpider ID23306098
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

475488-23-4 [RN]
5-[3-(Benzyloxy)phenyl]-7-[trans-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
5-[3-(Benzyloxy)phenyl]-7-[trans-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
5-[3-(Benzyloxy)phényl]-7-[trans-3-(1-pyrrolidinylméthyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
5-[3-(benzyloxy)phenyl]-7-[trans-3-(pyrrolidin-1-ylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
7H-pyrrolo[2,3-d]pyrimidin-4-amine, 5-[3-(phenylmethoxy)phenyl]-7-[trans-3-(1-pyrrolidinylmethyl)cyclobutyl]- [ACD/Index Name]
ADW742
ADW-742
MXS2N5862L
NVP-ADW742
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      ATP-competitive inhibitor of IGF1R Tocris Bioscience 5247
      ATP-competitive inhibitor of IGF1R (IC50 in the range of 0.1-0.2 ?M). Also inhibits c-Kit kinase activity (IC50 in the range of 3-5 ?M). Exhibits a synergistic effect with Imatinib, enhancing the sens itivity of multiple small cell lung cancer cell lines to the chemotherapeutics etoposide (Cat. No. 1226) and carboplatin (Cat. No. 2626). Tocris Bioscience 5247
      ATP-competitive inhibitor of IGF1R (IC50 in the range of 0.1-0.2 ?M). Also inhibits c-Kit kinase activity (IC50 in the range of 3-5 ?M). Exhibits a synergistic effect with Imatinib, enhancing the sensitivity of multiple small cell lung cancer cell lines to the chemotherapeutics etoposide (Cat. No. 1226) and carboplatin (Cat. No. 2626). Tocris Bioscience 5247
      ATP-competitive inhibitor of IGF1R (IC50 in the range of 0.1-0.2 muM). Also inhibits c-Kit kinase activity (IC50 in the range of 3-5 muM). Exhibits a synergistic effect with Imatinib, enhancing the sensitivity of multiple small cell lung cancer cell lines to the chemotherapeutics etoposide (Cat. No. 1226) and carboplatin (Cat. No. 2626). Tocris Bioscience 5247
      Enzyme-Linked Receptors Tocris Bioscience 5247
      IGF-1R MedChem Express HY-10252
      Insulin and insulin-like Receptors Tocris Bioscience 5247
      NVP-ADW742(ADW742; GSK 552602A ) is an selective IGF-1R inhibitor with IC50 of 0.17 ?M, >16-fold more potent against IGF-1R than InsR; little activity to HER2, PDGFR, VEGFR-2, Bcr-Abl and c-Kit.; IC50 value: 0.17 uM [1]; Target: IGF-1R; in vitro: NVP-ADW742 exhibits a 6-fold greater selectivity for IGF-1R versus InsR with IC50 of 2.8 ?M; minimal inhibitory activity against c-Kit, HER1, PDGFR, VEGFR2, or Bcr-Abl p210 with IC50 greater than 5 ?M. MedChem Express HY-10252
      Protein Tyrosine Kinase/RTK MedChem Express HY-10252
      Protein Tyrosine Kinase/RTK; MedChem Express HY-10252
      Receptor Tyrosine Kinases (RTKs) Tocris Bioscience 5247

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.5±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.28
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 8.65
ACD/KOC (pH 7.4): 32.26
Polar Surface Area: 69 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 346.1±7.0 cm3

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