ChemSpider 2D Image | osimertinib | C28H33N7O2

osimertinib

  • Molecular FormulaC28H33N7O2
  • Average mass499.607 Da
  • Monoisotopic mass499.269562 Da
  • ChemSpider ID31042598

More details:

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

1421373-65-0 [RN]
23334373 [Beilstein]
2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
N-(2-{[2-(Dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino}phenyl)acrylamid [German] [ACD/IUPAC Name]
N-(2-{[2-(Dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino}phenyl)acrylamide [ACD/IUPAC Name]
N-(2-{[2-(Diméthylamino)éthyl](méthyl)amino}-4-méthoxy-5-{[4-(1-méthyl-1H-indol-3-yl)-2-pyrimidinyl]amino}phényl)acrylamide [French] [ACD/IUPAC Name]
osimertinib [INN] [USAN]
osimertinib [Spanish] [INN]
osimertinib [French] [INN]
osimertinibum [Latin] [INN]
More...

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

3C06JJ0Z2O [DBID]
AZD 9291 [DBID]
AZD9291 [DBID]
UNII-3C06JJ0Z2O [DBID]
10043 [DBID]
AZD-9291 [DBID]
PubChem Substance ID 329825761 [DBID]
UNII:3C06JJ0Z2O [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      L01XE35 Wikidata Q21506464

    • Target Organs:

      EGFR inhibitor TargetMol T2490

    • Chemical Class:

      A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acryl amidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. ChEBI CHEBI:90943

    • Bio Activity:

      AZD-9291 is a potent and selective mutated forms EGFR inhibitor(Exon 19 deletion EGFR IC50=12.92 nM, L858R/T790M EGFR IC50= 11.44 nM, wild type EGFR IC50= 493.8 nM). MedChem Express http://www.medchemexpress.com/erastin.html, HY-15772
      AZD-9291 is a potent and selective mutated forms EGFR inhibitor(Exon 19 deletion EGFR IC50=12.92 nM, L858R/T790M EGFR IC50= 11.44 nM, wild type EGFR IC50= 493.8 nM). ;IC50 value: 12.92 nM(Exon 19 deletion EGFR); 11.44 nM(L858R/T790M EGFR) [1];Target: L858R/T790M EGFR; Exon 19 deletion EGFRAZD-9291 is a third-generation EGFR inhibitor, showed promise in preclinical studies and provides hope for patients with advanced lung cancers that have become resistant to existing EGFR inhibitors. AZD9291 is highly active in preclinical models and is well tolerated in animal models. It inhibits both activating and resistant EGFR mutations while sparing the normal form of EGFR that is present in normal skin and gut cells, thereby reducing the side effects encountered with currently available medicines.Patent: WO 2013014448 MedChem Express HY-15772
      EGFR MedChem Express HY-15772
      EGFR TargetMol T2490
      JAK/STAT Signaling MedChem Express HY-15772
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-15772
      Tyrosine Kinase/Adaptors TargetMol T2490

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 55.89
Polar Surface Area: 88 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 418.4±7.0 cm3

Click to predict properties on the Chemicalize site


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