ChemSpider 2D Image | VER-155008 | C25H23Cl2N7O4

VER-155008

  • Molecular FormulaC25H23Cl2N7O4
  • Average mass556.401 Da
  • Monoisotopic mass555.118835 Da
  • ChemSpider ID23337081

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1134156-31-2 [RN]
4-({[(2R,3S,4R,5R)-5-(6-amino-8-{[(3,4-dichlorophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}methyl)benzonitrile
4-({[(2R,3S,4R,5R)-5-(6-amino-8-{[(3,4-dichlorophenyl)methyl]amino}purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}methyl)benzonitrile
4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxymethyl]benzonitrile
5'-O-(4-Cyanbenzyl)-8-[(3,4-dichlorbenzyl)amino]adenosin [German] [ACD/IUPAC Name]
5'-O-(4-Cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adenosine [ACD/IUPAC Name]
5'-O-(4-Cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adénosine [French] [ACD/IUPAC Name]
5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine
Adenosine, 5'-O-[(4-cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]- [ACD/Index Name]
MFCD18086892 [MDL number]
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Biology Tocris Bioscience 3803
      Cell Cycle/DNA Damage; Metabolism/Protease; MedChem Express HY-10941
      Heat Shock Proteins Tocris Bioscience 3803
      HSP MedChem Express HY-10941
      Hsp70 Tocris Bioscience 3803
      Hsp70 inhibitor Tocris Bioscience 3803
      Novel adenosine-derived inhibitor of Heat Shock Protein 70 (Hsp70) (IC50 = 0.5 ?M). Inhibits cell proliferation of multiple human tumor cell lines in vitro. Also binds Hsc70 and Grp78; displays select ivity against Hsp90? (IC50 >200 ?M for Hsp90?). Tocris Bioscience 3803
      Novel adenosine-derived inhibitor of Heat Shock Protein 70 (Hsp70) (IC50 = 0.5 ?M). Inhibits cell proliferation of multiple human tumor cell lines in vitro. Also binds Hsc70 and Grp78; displays selectivity against Hsp90? (IC50 >200 ?M for Hsp90?). Tocris Bioscience 3803
      Novel adenosine-derived inhibitor of Heat Shock Protein 70 (Hsp70) (IC50 = 0.5 muM). Inhibits cell proliferation of multiple human tumor cell lines in vitro. Also binds Hsc70 and Grp78; displays selectivity against Hsp90beta (IC50 >200 muM for Hsp90beta). Tocris Bioscience 3803
      Signal Transduction Tocris Bioscience 3803
      VER-155008 is a novel, small molecule inhibitor of Hsc70/Hsp70 with GI50 of 5.3-14.4 uM in human breast and colon cancer cell lines. MedChem Express

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

Density: 1.6±0.1 g/cm3
Boiling Point: 856.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.7±37.1 °C
Index of Refraction: 1.748
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 199.26
ACD/KOC (pH 5.5): 1425.01
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.80
ACD/KOC (pH 7.4): 1865.15
Polar Surface Area: 164 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 341.2±7.0 cm3

Click to predict properties on the Chemicalize site


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