ChemSpider 2D Image | Varlitinib | C22H19ClN6O2S

Varlitinib

  • Molecular FormulaC22H19ClN6O2S
  • Average mass466.943 Da
  • Monoisotopic mass466.097870 Da
  • ChemSpider ID25027380
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4,6-Quinazolinediamine, N4-[3-chloro-4-(2-thiazolylmethoxy)phenyl]-N6-[(4R)-4,5-dihydro-4-methyl-2-oxazolyl]- [ACD/Index Name]
845272-21-1 [RN]
846Y8197W1
9187
N4-[3-Chlor-4-(1,3-thiazol-2-ylmethoxy)phenyl]-N6-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,6-chinazolindiamin [German] [ACD/IUPAC Name]
N4-[3-Chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-N6-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,6-quinazolinediamine [ACD/IUPAC Name]
N4-[3-Chloro-4-(1,3-thiazol-2-ylméthoxy)phényl]-N6-[(4R)-4-méthyl-4,5-dihydro-1,3-oxazol-2-yl]-4,6-quinazolinediamine [French] [ACD/IUPAC Name]
varlitinib [Spanish] [INN]
varlitinib [French] [INN]
Varlitinib [INN] [USAN]
More...

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

ARRY-334543 [DBID]
ARRY334543 [DBID]
ARRY-543 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      EGFR MedChem Express HY-10530
      JAK/STAT Signaling MedChem Express HY-10530
      JAK/STAT Signaling; MedChem Express HY-10530
      Varlitinib is a selective and potent ErbB1(EGFR) and ErbB2(HER2) inhibitor with IC50 of 7 nM and 2 nM, respectively. MedChem Express HY-10530
      Varlitinib is a selective and potent ErbB1(EGFR) and ErbB2(HER2) inhibitor with IC50 of 7 nM and 2 nM, respectively. ;IC50 value: 2 nM (ErbB2), 7 nM (ErbB1);Target: ErbB;In vitro: Varlitinib is an orally bioavailable inhibitor of the epidermal growth factor receptor family with potential antineoplastic activity. Varlitinib selectively and reversibly binds to both EGFR (ErbB-1) and Her-2/neu (ErbB-2) and prevents their phosphorylation and activation, which may result in inhibition of the associated signal transduction pathways, inhibition of cellular proliferation and cell death. EGFR and Her-2 play important roles in cell proliferation and differentiation and are upregulated in various human tumor cell types. Due to the dual inhibition of both EGFR and Her-2, this agent may be therapeutically more effective than agents that inhibit EGFR or Her-2 alone.;In vivo: When dosed orally, ARRY334543 prevents growth of human tumor xenografts that overexpress ErbB-1 (A431) or ErbB-2 (MDA-MB- MedChem Express HY-10530

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 637.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.1±34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 46.26
ACD/KOC (pH 5.5): 266.18
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 510.52
ACD/KOC (pH 7.4): 2937.48
Polar Surface Area: 122 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 308.1±7.0 cm3

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