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Search term: 9000-96-8 (Found by synonym)
ChemSpider 2D Image | Arginase inhibitor 1 | C13H27BN2O4

Arginase inhibitor 1

  • Molecular FormulaC13H27BN2O4
  • Average mass286.176 Da
  • Monoisotopic mass286.206390 Da
  • ChemSpider ID29412951

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1345808-25-4 [RN]
1-Piperidinebutanoic acid, α-amino-α-(4-boronobutyl)-, (αR)- [ACD/Index Name]
6-(Dihydroxyboryl)-2-[2-(1-piperidinyl)ethyl]-L-norleucin [German] [ACD/IUPAC Name]
6-(Dihydroxyboryl)-2-[2-(1-piperidinyl)ethyl]-L-norleucine [ACD/IUPAC Name]
6-(Dihydroxyboryl)-2-[2-(1-pipéridinyl)éthyl]-L-norleucine [French] [ACD/IUPAC Name]
Arginase inhibitor 1
compound 9 [PMID: 23472952]
(?R)?-?-?amino-??-?(4-?boronobutyl)?-?1-?Piperidinebutanoic acid
(2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid
(R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Arginase inhibitor 1 is a novel and potent small molecule inhibitor of human arginases I and II with IC50s of 223 and 509 nM, respectively. MedChem Express
      Arginase inhibitor 1 is a novel and potent small molecule inhibitor of human arginases I and II with IC50s of 223 and 509 nM, respectively.; IC50 Value: 223 nM (arginases I); 509 nM (arginases II) [1]; Target: Human Arginase; Arginase inhibitor 1 is active in a recombinant cellular assay overexpressing humanarginase I (CHO cells). MedChem Express HY-15775
      Arginase inhibitor 1 is a novel and potent small molecule inhibitor of human arginases I and II with IC50s of 223 and 509 nM, respectively.;IC50 Value: 223 nM (arginases I); 509 nM (arginases II) [1];Target: Human ArginaseArginase inhibitor 1 is active in a recombinant cellular assay overexpressing humanarginase I (CHO cells). It is 28% orally bioavailable and significantly reduces the infarct size in a rat model of myocardial ischemia/reperfusion injury [1]. MedChem Express HY-15775
      Others MedChem Express HY-15775

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 270.1±32.9 °C
Index of Refraction: 1.516
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

Click to predict properties on the Chemicalize site


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