ChemSpider 2D Image | UNC0379 | C23H35N5O2

UNC0379

  • Molecular FormulaC23H35N5O2
  • Average mass413.556 Da
  • Monoisotopic mass413.279083 Da
  • ChemSpider ID34500828

More details:

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

1620401-82-2 [RN]
4-Quinazolinamine, 6,7-dimethoxy-2-(1-pyrrolidinyl)-N-[5-(1-pyrrolidinyl)pentyl]- [ACD/Index Name]
6,7-Dimethoxy-2-(1-pyrrolidinyl)-N-[5-(1-pyrrolidinyl)pentyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
6,7-Dimethoxy-2-(1-pyrrolidinyl)-N-[5-(1-pyrrolidinyl)pentyl]-4-quinazolinamine [ACD/IUPAC Name]
6,7-Diméthoxy-2-(1-pyrrolidinyl)-N-[5-(1-pyrrolidinyl)pentyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
MFCD28167817
UNC0379
[1620401-82-2] [RN]
1620401-83-3 [RN]
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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

    • Target Organs:

      Histone Methyltransferase inhibitor TargetMol T1841

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-12335
      Cell Cycle/DNA Damage; MedChem Express HY-12335
      Chromatin/Epigenetic TargetMol T1841
      HMTase MedChem Express HY-12335
      SETD8 TargetMol T1841
      UNC0379 is a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8 with IC50 of 7.3?1.0 uM; selective over 15 other methyltransferases.; IC50 value: 7.3?1.0 uM; Target: SETD8 inhibitor; UNC0379 is a synthetic small-molecule inhibitor that displays inhibitory activity in multiple biochemical assays and is selective for SETD8 over 15 other methyltransferases. MedChem Express HY-12335
      UNC0379 is a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8 with IC50 of 7.3?1.0 uM; selective over 15 other methyltransferases.;IC50 value: 7.3?1.0 uM;Target: SETD8 inhibitorUNC0379 is a synthetic small-molecule inhibitor that displays inhibitory activity in multiple biochemical assays and is selective for SETD8 over 15 other methyltransferases. The binding affinity of UNC0379 to SETD8 was determined using biophysical assays such as ITC (isothermal titration calorimetry) and SPR (surface plasmon resonance) and is largely consistent with its potency in biochemical assays. MedChem Express HY-12335
      UNC0379 is a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8 with IC50 of 7.3±1.0 uM; selective over 15 other methyltransferases. MedChem Express

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.5±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

Click to predict properties on the Chemicalize site


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