ChemSpider 2D Image | Ceralasertib | C20H24N6O2S

Ceralasertib

  • Molecular FormulaC20H24N6O2S
  • Average mass412.509 Da
  • Monoisotopic mass412.168152 Da
  • ChemSpider ID38772342

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrrolo[2,3-b]pyridine, 4-[4-[(3R)-3-methyl-4-morpholinyl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl]- [ACD/Index Name]
4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
4-{4-[(3R)-3-Méthyl-4-morpholinyl]-6-[1-(S-méthylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
Ceralasertib
(3r)-3-methyl-4-(6-(1-(s-methylsulfonimidoyl)cyclopropyl)-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)morpholine
(R)-imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone
1352226-88-0 [RN]
AZD6738
AZD-6738
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      ATR MedChem Express HY-19323
      AZD6738 is a potent inhibitor of ATR kinase activity with an IC50 of 1 nM against the isolated enzyme and 74 nM against ATR kinase-dependent CHK1 phosphorylation in cells.; IC50 value: 1 nM; Target: ATR kinase; in vitro: AZD6738 is an orally active and bioavailable ATR kinase inhibitor. MedChem Express HY-19323
      AZD6738 is a potent inhibitor of ATR kinase activity with an IC50 of 1 nM against the isolated enzyme and 74 nM against ATR kinase-dependent CHK1 phosphorylation in cells.;IC50 value: 1 nM;Target: ATR kinase;In vitro: AZD6738 is an orally active and bioavailable ATR kinase inhibitor. AZD6738 induces cell death and senescence in non-small cell lung cancer (NSCLC) cell lines. AZD6738 potentiates the cytotoxicity of cisplatin and gemcitabine in NSCLC cell lines with intact ATM kinase signaling, and potently synergizes with cisplatin in ATM-deficient NSCLC cells. AZD6738 inhibits ATR kinase activity and impairs viability of NSCLC. [1];In vivo: In contrast to expectations, daily administration of AZD6738 and ATR kinase inhibition for 14 consecutive days is tolerated in mice and enhances the therapeutic efficacy of cisplatin in xenograft models. Remarkably, the combination of cisplatin and AZD6738 resolves ATM-deficient lung cancer xenografts. [1] MedChem Express HY-19323
      Cell Cycle/DNA Damage MedChem Express HY-19323
      Cell Cycle/DNA Damage; MedChem Express HY-19323

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 271.3±7.0 cm3

Click to predict properties on the Chemicalize site


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