ChemSpider 2D Image | DBPR-108 | C16H25FN4O2

DBPR-108

  • Molecular FormulaC16H25FN4O2
  • Average mass324.394 Da
  • Monoisotopic mass324.196167 Da
  • ChemSpider ID24662486

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Fluor-1-{N-[2-methyl-4-oxo-4-(1-pyrrolidinyl)-2-butanyl]glycyl}-2-pyrrolidincarbonitril [German] [ACD/IUPAC Name]
(2S,4S)-4-fluoro-1-(2-{[2-methyl-4-oxo-4-(pyrrolidin-1-yl)butan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
(2S,4S)-4-Fluoro-1-{N-[2-methyl-4-oxo-4-(1-pyrrolidinyl)-2-butanyl]glycyl}-2-pyrrolidinecarbonitrile [ACD/IUPAC Name]
(2S,4S)-4-Fluoro-1-{N-[2-méthyl-4-oxo-4-(1-pyrrolidinyl)-2-butanyl]glycyl}-2-pyrrolidinecarbonitrile [French] [ACD/IUPAC Name]
1186426-66-3 [RN]
2-Pyrrolidinecarbonitrile, 1-[2-[[1,1-dimethyl-3-oxo-3-(1-pyrrolidinyl)propyl]amino]acetyl]-4-fluoro-, (2S,4S)- [ACD/Index Name]
DBPR-108
(2S,4S)-1-[2-(1,1-dimethyl-3-oxo-3-pyrrolidin-1-yl-propylamino)-acetyl]-4-fluoro-pyrrolidine-2-carbonitrile
(2S,4S)-4-fluoro-1-[2-[(2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
DBPR108
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      DBPR108 is a potent, selective, and orally bioavailable dipeptide-derived inhibitor of DPP4 with IC50 of 15 nM; no inhibition on DDP8 and DPP9. MedChem Express
      DBPR108 is a potent, selective, and orally bioavailable dipeptide-derived inhibitor of DPP4 with IC50 of 15 nM; no inhibition on DDP8 and DPP9.;IC50 value: 15 nM [1];Target: DPP4 inhibitorDBPR108 is an IC50=15 nM DPP IV inhibitor displays a more than 3000-fold selectivity over DPP8 DPP9, FAP and DPP-II. TThe in vivo effects of DBPR108, including inhibition of plasma DPP-IV activity and suppression of blood glucose elevation, were also demonstrated. DBPR108 is a potent, selective, long-acting and safe DPP-IV inhibitor as a potential treatment of type 2 diabetesmellitus. MedChem Express HY-12528
      DPP4 MedChem Express HY-12528
      Metabolism/Protease; MedChem Express HY-12528

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 83.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.04
Polar Surface Area: 76 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 269.6±5.0 cm3

Click to predict properties on the Chemicalize site


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