ChemSpider 2D Image | XL019 | C25H28N6O2

XL019

  • Molecular FormulaC25H28N6O2
  • Average mass444.529 Da
  • Monoisotopic mass444.227386 Da
  • ChemSpider ID28824126

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-[4-(2-{[4-(MORPHOLIN-4-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)PHENYL]PYRROLIDINE-2-CARBOXAMIDE
2-Pyrrolidinecarboxamide, N-[4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-, (2S)- [ACD/Index Name]
4L1AM42NVA
945755-56-6 [RN]
N-[4-(2-{[4-(4-Morpholinyl)phenyl]amino}-4-pyrimidinyl)phenyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[4-(2-{[4-(4-Morpholinyl)phenyl]amino}-4-pyrimidinyl)phenyl]-L-prolinamide [ACD/IUPAC Name]
N-[4-(2-{[4-(4-Morpholinyl)phényl]amino}-4-pyrimidinyl)phényl]-L-prolinamide [French] [ACD/IUPAC Name]
XL019
XL-019
(2S)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      JAK MedChem Express HY-13775
      JAK/STAT Signaling MedChem Express HY-13775
      JAK/STAT Signaling; MedChem Express HY-13775
      XL019 is a potent and selective JAK2 inhibitor with IC50 of 2.2 nM, 100 fold selectivity over JAK1; shows good biochemical and cellular potency against JAK2 with good selectivity against the Janus Kin ase family as well as a broad kinase panel. MedChem Express
      XL019 is a potent and selective JAK2 inhibitor with IC50 of 2.2 nM, 100 fold selectivity over JAK1; shows good biochemical and cellular potency against JAK2 with good selectivity against the Janus Kinase family as well as a broad kinase panel.; IC50 Value: 2.2 nM (JAK2); 214.2 nM (JAK3) [1]; XL019 was selected as a clinical candidate and advanced into human clinical trials where it was evaluated in patients with primary myelofibrosis, post-polycythemia vera, or post-essential thrombocythemia myelofibrosis.; in vitro: Analogue XL019 was also evaluated against a selectivity panel of 118 kinases. MedChem Express HY-13775

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 30.68
Polar Surface Area: 91 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 344.4±3.0 cm3

Click to predict properties on the Chemicalize site


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