ChemSpider 2D Image | Azd-2811 | C26H30FN7O3


  • Molecular FormulaC26H30FN7O3
  • Average mass507.560 Da
  • Monoisotopic mass507.239410 Da
  • ChemSpider ID13137620

More details:

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

1H-Pyrazole-5-acetamide, 3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)- [ACD/Index Name]
2-{3-[(7-{3-[Ethyl(2-hydroxyethyl)amino]propoxy}-4-chinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
2-{3-[(7-{3-[Ethyl(2-hydroxyethyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide [ACD/IUPAC Name]
2-{3-[(7-{3-[Éthyl(2-hydroxyéthyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophényl)acétamide [French] [ACD/IUPAC Name]
722544-51-6 [RN]

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

Kinome_3323 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      Aurora Kinase inhibitor TargetMol T2602
    • Chemical Class:

      A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydr oxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. ChEBI CHEBI:91367
    • Bio Activity:

      Aurora B/Aurora A TargetMol T2602
      Aurora Kinase MedChem Express HY-10126
      AZD1152-HQPA is the active metabolite of AZD-1152, AZD1152-HQPA (Barasertib) is a highly selective Aurora B inhibitor with IC50 of 0.37 nM, ~100 fold more selective for Aurora B over Aurora A.; IC50 Value: 0.37 nM; Target: Aurora B ; in vitro: AZD1152 displays >3000-fold selectivity for Aurora B as compared with Aurora A which has an IC50 of 1.368 ?M. MedChem Express HY-10126
      Cell Cycle/Checkpoint TargetMol T2602
      Cell Cycle/DNA Damage MedChem Express HY-10126
      Cell Cycle/DNA Damage; MedChem Express HY-10126

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 435.6±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 11.17
ACD/KOC (pH 7.4): 95.45
Polar Surface Area: 128 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

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