ChemSpider 2D Image | AMG 487 | C32H28F3N5O4

AMG 487

  • Molecular FormulaC32H28F3N5O4
  • Average mass603.591 Da
  • Monoisotopic mass603.209351 Da
  • ChemSpider ID23287081

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

355CGR2CBL
473719-41-4 [RN]
AMG 487
AMG-487
Benzeneacetamide, N-[(1R)-1-[3-(4-ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(3-pyridinylmethyl)-4-(trifluoromethoxy)- [ACD/Index Name]
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-[(pyridin-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl}-N-(3-pyridinylmethyl)-2-[4-(trifluormethoxy)phenyl]acetamid [German] [ACD/IUPAC Name]
N-{(1R)-1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl}-N-(3-pyridinylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide [ACD/IUPAC Name]
N-{(1R)-1-[3-(4-Éthoxyphényl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]éthyl}-N-(3-pyridinylméthyl)-2-[4-(trifluorométhoxy)phényl]acétamide [French] [ACD/IUPAC Name]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      AMG 487 is a small molecule antagonist of the chemokine receptor CXCR3; inhibits binding of 125I-IP-10 and 125I-ITAC to CXCR3 (IC50 values are 8.0 and 8.2 nM respectively).; IC50 value: 8 nM [1]; Target: CXCR3; in vitro: Although in vitro activity loss assays failed to demonstrate CYP3A4 time-dependent inhibition (TDI) with AMG 487, its M2 phenol metabolite readily produced TDI when remaining activity was assessed using either midazolam or testosterone (K(I) = 0.73-0.74 ?M, k(inact) = 0.088-0.099 min(-1)) [4]. MedChem Express HY-15319
      CXCR MedChem Express HY-15319
      GPCR/G protein MedChem Express HY-15319
      GPCR/G protein; Immunology/Inflammation; MedChem Express HY-15319

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.4±35.7 °C
Index of Refraction: 1.606
Molar Refractivity: 158.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 347.01
ACD/KOC (pH 5.5): 2251.66
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 368.39
ACD/KOC (pH 7.4): 2390.40
Polar Surface Area: 97 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 459.7±7.0 cm3

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