ChemSpider 2D Image | MFCD16987861 | C24H23N5OS

MFCD16987861

  • Molecular FormulaC24H23N5OS
  • Average mass429.537 Da
  • Monoisotopic mass429.162323 Da
  • ChemSpider ID28424133

More details:






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

1227633-49-9 [RN]
4-(2-(2-(benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)phenol
4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol [German] [ACD/IUPAC Name]
4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol [ACD/IUPAC Name]
4-(2-{[2-(1-Benzothiophén-3-yl)-9-isopropyl-9H-purin-6-yl]amino}éthyl)phénol [French] [ACD/IUPAC Name]
MFCD16987861
Phenol, 4-[2-[[2-benzo[b]thien-3-yl-9-(1-methylethyl)-9H-purin-6-yl]amino]ethyl]- [ACD/Index Name]
StemRegenin 1
[1227633-49-9]
4-(2-((2-(benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-yl)amino)ethyl)phenol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      5 Axon Medchem 1865
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1865
      no pictogram Axon Medchem 1865
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1865
      Warning Axon Medchem 1865
    • Target Organs:

      AhR antagonist TargetMol T1831
    • Bio Activity:

      Aryl hydrocarbon receptor (AhR) TargetMol T1831
      Metabolism TargetMol T1831
      Others MedChem Express HY-15001
      StemRegenin 1(SR1) is an antagonist of the aryl hydrocarbon receptor.SR1 is the first small molecule that promotes robust expansion/self-renewal of human CD34+ peripheral blood and cord blood hematopo ietic stem cells (HSCs). MedChem Express http://www.medchemexpress.com/GSK2334470.html
      StemRegenin 1(SR1) is an antagonist of the aryl hydrocarbon receptor.SR1 is the first small molecule that promotes robust expansion/self-renewal of human CD34+ peripheral blood and cord blood hematopoietic stem cells (HSCs). MedChem Express HY-15001
      StemRegenin 1(SR1) is an antagonist of the aryl hydrocarbon receptor.SR1 is the first small molecule that promotes robust expansion/self-renewal of human CD34+ peripheral blood and cord blood hematopoietic stem cells (HSCs). ;IC50 value: 0.12 uM(EC50, 50% increase in percent CD34+);Target: aryl hydrocarbon receptor;The compound StemRegenin 1 (SR1) is a selective, cell permeable, small molecule that promotes the self-renewal of human hematopoietic stem cells in culture.Culture of HSCs with SR1 led to a 50-fold increase in cells expressing CD34 and a 17-fold increase in cells that retain the ability to engraft immunodeficient mice. SR1 can be potentially used for ex vivo expansion of normal HSCs or leukemic stem/progenitor cells. MedChem Express HY-15001

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 330.5±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8154.12
ACD/KOC (pH 5.5): 21908.90
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8182.73
ACD/KOC (pH 7.4): 21985.77
Polar Surface Area: 104 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 315.8±7.0 cm3

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