ChemSpider 2D Image | UNII:L3DGZ99QYM | C23H18Cl3FN4O3S

UNII:L3DGZ99QYM

  • Molecular FormulaC23H18Cl3FN4O3S
  • Average mass555.836 Da
  • Monoisotopic mass554.014893 Da
  • ChemSpider ID5037512

More details:






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

2,2-Diphenyl-N-(2,2,2-trichlor-1-{[(4-fluor-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamid [German] [ACD/IUPAC Name]
2,2-Diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide [ACD/IUPAC Name]
2,2-Diphényl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophényl)carbamothioyl]amino}éthyl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-phenyl-N-[2,2,2-trichloro-1-[[[(4-fluoro-3-nitrophenyl)amino]thioxomethyl]amino]ethyl]- [ACD/Index Name]
UNII:L3DGZ99QYM
?-?phenyl-?N-?[2,?2,?2-?trichloro-?1-?[[[(4-?fluoro-?3-?nitrophenyl)?amino]?thioxomethyl]?amino]?ethyl]?-benzeneacetamide
?-phenyl-N-[2,2,2-trichloro-1-[[[(4-fluoro-3-nitrophenyl)amino]thioxomethyl]amino]ethyl]-benzeneacetamide
[905973-89-9]
2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-fluoro-3-nitrophenyl)thioureido)ethyl)acetamide
2,2-Diphenyl-n-(2,2,2-trichloro-1-[3-(4-fluoro-3-nitrophenyl)thioureido]ethyl)acetamide
More...

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

C9867_SIGMA [DBID]
nchembio800_comp1 [DBID]
nchembio800-comp1 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      ATM/ATR inhibitor TargetMol T1821
    • Bio Activity:

      Apoptosis Tocris Bioscience 2639
      ATM MedChem Express HY-15520
      ATM ATR MedChem Express HY-15520
      ATM/ATR TargetMol T1821
      Cell Biology Tocris Bioscience 2639
      Cell Cycle/DNA Damage MedChem Express HY-15520
      Cell Cycle/DNA Damage; PI3K/Akt/mTOR ; MedChem Express HY-15520
      CGK 733 is a small molecule inhibitor reportedly targeting the kinase activities of ATM and ATR.; IC50 Value: ; Target: ATM/ATR; in vitro: Culture of MCF-7 breast cancer cells with 10 ?M CGK733 induced a detectable decline of cyclin D1 levels within 2 h of exposure, and this effect was maximal between 4 and 6 h after exposure, CGK733 induced the loss of cyclin D1 expression at concentrations as low as 5 ?M and this activity was maximal at 10 to 20 ?M The CGK733 induced attenuation of cyclin D1 levels was inhibited by the 26S proteasome inhibitor MG132 but not the GSK3? inhibitor lithium chloride (LiCl) in MCF-7 and T47D cells [1]. MedChem Express HY-15520
      Induces apoptosis in prematurely senescent cells Tocris Bioscience 2639
      Originally defined as a selective inhibitor of ATR and ATM kinases. Induces cell death in prematurely senescent breast cancer cells. Decreases p21CIP1 levels in premature senescent MCF-7 and HCT-116 c ells; also exhibits antiproliferative activity in a range of cancer cell lines. Blocks camptothecin-induced p53 phosphorylation and protects cells from camptothecin-induced apoptosis. Tocris Bioscience 2639
      Originally defined as a selective inhibitor of ATR and ATM kinases. Induces cell death in prematurely senescent breast cancer cells. Decreases p21CIP1 levels in premature senescent MCF-7 and HCT-116 cells; also exhibits antiproliferative activity in a range of cancer cell lines. Blocks camptothecin-induced p53 phosphorylation and protects cells from camptothecin-induced apoptosis. Tocris Bioscience 2639
      Other Apoptosis Tocris Bioscience 2639
      PI3K/Akt/mTOR Signaling TargetMol T1821

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11295.84
ACD/KOC (pH 5.5): 27710.94
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11178.21
ACD/KOC (pH 7.4): 27422.38
Polar Surface Area: 131 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 369.8±3.0 cm3

Click to predict properties on the Chemicalize site





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