ChemSpider 2D Image | nirogacestat | C27H41F2N5O

nirogacestat

  • Molecular FormulaC27H41F2N5O
  • Average mass489.644 Da
  • Monoisotopic mass489.327911 Da
  • ChemSpider ID26232306

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino}-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl}-1H-imidazol-4-yl)pentanamide
1290543-63-3 [RN]
N2-[(2S)-6,8-Difluor-1,2,3,4-tetrahydro-2-naphthalinyl]-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methyl-2-propanyl}-1H-imidazol-4-yl)-L-norvalinamid [German] [ACD/IUPAC Name]
N2-[(2S)-6,8-Difluoro-1,2,3,4-tétrahydro-2-naphtalényl]-N-(1-{1-[(2,2-diméthylpropyl)amino]-2-méthyl-2-propanyl}-1H-imidazol-4-yl)-L-norvalinamide [French] [ACD/IUPAC Name]
N2-[(2S)-6,8-Difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methyl-2-propanyl}-1H-imidazol-4-yl)-L-norvalinamide [ACD/IUPAC Name]
nirogacestat [INN] [USAN]
Nirogacestat [Spanish] [INN]
nirogacéstat [French] [INN]
nirogacestatum [Latin] [INN]
Pentanamide, 2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]amino]-N-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1H-imidazol-4-yl]-, (2S)- [ACD/Index Name]
More...

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

10404 [DBID]
PF03084014 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      ?-secretase MedChem Express HY-15185
      Neuronal Signaling MedChem Express HY-15185
      Neuronal Signaling; MedChem Express HY-15185
      PF-3084014 is a novel ?-secretase inhibitor that reduces amyloid-beta (Abeta) production with an in vitro IC(50) of 1.2 nM (whole-cell assay) to 6.2 nM (cell-free assay).; IC50 Value: 1.2 nM (whole-cell assay); 6.2 nM (cell-free assay) [1]; Target: ?-secretase; in vitro: The ability of PF-03084014 to inhibit gamma-secretase activity was shown by the reduction of endogenous NICD levels and by the downregulation of Notch target genes Hes-1 and c-Myc in the T-cell acute lymphoblastic leukemia (T-ALL) cell line HPB-ALL. MedChem Express HY-15185

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.7±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 13.73
Polar Surface Area: 71 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 419.4±7.0 cm3

Click to predict properties on the Chemicalize site


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