ChemSpider 2D Image | pilaralisib | C25H25ClN6O4S

pilaralisib

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID29340997

More details:

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

2-amino-N-[3-({3-[(2-chloro-5-methoxyphenyl)amino]quinoxalin-2- yl}sulfamoyl)phenyl]-2-methylpropanamide
934526-89-3 [RN]
N-[3-({3-[(2-Chlor-5-methoxyphenyl)amino]-2-chinoxalinyl}sulfamoyl)phenyl]-2-methylalaninamid [German] [ACD/IUPAC Name]
N-[3-({3-[(2-Chloro-5-methoxyphenyl)amino]-2-quinoxalinyl}sulfamoyl)phenyl]-2-methylalaninamide [ACD/IUPAC Name]
N-[3-({3-[(2-Chloro-5-méthoxyphényl)amino]-2-quinoxalinyl}sulfamoyl)phényl]-2-méthylalaninamide [French] [ACD/IUPAC Name]
pilaralisib [INN] [USAN]
pilaralisib [Spanish] [INN]
pilaralisib [French] [INN]
pilaralisibum [Latin] [INN]
Propanamide, 2-amino-N-[3-[[[3-[(2-chloro-5-methoxyphenyl)amino]-2-quinoxalinyl]amino]sulfonyl]phenyl]-2-methyl- [ACD/Index Name]
More...

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

60ES45KTMK [DBID]
9708 [DBID]
SAR245408 [DBID]
UNII:60ES45KTMK [DBID]
XL 147 [DBID]
XL147 [DBID]
XL-147 [DBID]
UNII-60ES45KTMK [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      PI3K inhibitor TargetMol T2365

    • Bio Activity:

      PI3K MedChem Express HY-16526
      PI3K/Akt/mTOR MedChem Express HY-16526
      PI3K/Akt/mTOR ; MedChem Express HY-16526
      PI3K/Akt/mTOR Signaling TargetMol T2365
      PI3K??/??/?? TargetMol T2365
      XL147(SAR245408; pilaralisib) is a potent, orally bioavailable inhibitor of the class I PI3K family of lipid kinases with IC50 values of 39 nM/383 nM/36 nM/23 nM for PI3K?/?/?/?, respectively; less potent to PI3K?.; IC50 Value:39 nM (PI3K?); 383 nM (PI3K?); 36 nM (PI3K?); 23 nM(PI3K?) [1]; Target: ; in vitro: XL147 binds in an ATP-competitive and reversible manner, yet is highly selective against a panel of >130 human protein kinases. MedChem Express HY-16526

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: 1.695
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 21.25
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 13.91
ACD/KOC (pH 7.4): 96.83
Polar Surface Area: 157 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 370.9±3.0 cm3

Click to predict properties on the Chemicalize site


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