ChemSpider 2D Image | RGB-286638 | C29H35N7O4

RGB-286638

  • Molecular FormulaC29H35N7O4
  • Average mass545.633 Da
  • Monoisotopic mass545.275024 Da
  • ChemSpider ID9459995

More details:






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

1-[3-(4-{[4-(2-Methoxyethyl)-1-piperazinyl]methyl}phenyl)-4-oxo-1,4-dihydroindeno[1,2-c]pyrazol-5-yl]-3-(4-morpholinyl)harnstoff [German] [ACD/IUPAC Name]
1-[3-(4-{[4-(2-Methoxyethyl)-1-piperazinyl]methyl}phenyl)-4-oxo-1,4-dihydroindeno[1,2-c]pyrazol-5-yl]-3-(4-morpholinyl)urea [ACD/IUPAC Name]
1-[3-(4-{[4-(2-Méthoxyéthyl)-1-pipérazinyl]méthyl}phényl)-4-oxo-1,4-dihydroindéno[1,2-c]pyrazol-5-yl]-3-(4-morpholinyl)urée [French] [ACD/IUPAC Name]
784210-88-4 [RN]
RGB-286638
RGB-286638 FREE BASE
Urea, N-[1,4-dihydro-3-[4-[[4-(2-methoxyethyl)-1-piperazinyl]methyl]phenyl]-4-oxoindeno[1,2-c]pyrazol-5-yl]-N'-4-morpholinyl- [ACD/Index Name]
1-(3-(4-((4-(2-methoxyethyl)piperazin-1-yl)methyl)phenyl)-4-oxo-1,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-morpholinourea
1-[3-[4-[[4-(2-methoxyethyl)-1-piperazinyl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholinourea
1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1GAJ98SC2X [DBID]
UNII:1GAJ98SC2X [DBID]
UNII-1GAJ98SC2X [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      CDK inhibitor TargetMol T2378
    • Bio Activity:

      CDK MedChem Express HY-15504A
      Cell Cycle/Checkpoint TargetMol T2378
      Cell Cycle/DNA Damage MedChem Express HY-15504A
      Cell Cycle/DNA Damage; MedChem Express HY-15504A
      cyclin T1-CDK9/cyclin B1-CDK1/cyclin E-CDK2/cyclin D1-CDK4/cyclin E-CDK3/p35-CDK5 TargetMol T2378
      RGB-286638 free base is a novel CDK inhibitor with IC50s of 1 nM/2 nM/3 nM/4 nM/5 nM for cyclin T1-CDK9/cyclin B1-CDK1/cyclin E-CDK2/cyclin D1-CDK4/cyclin E-CDK3/p35-CDK5 respectively; less potent aga inst cyclin H-CDK7 and cyclin D3-CDK6. MedChem Express
      RGB-286638 free base is a novel CDK inhibitor with IC50s of 1 nM/2 nM/3 nM/4 nM/5 nM for cyclin T1-CDK9/cyclin B1-CDK1/cyclin E-CDK2/cyclin D1-CDK4/cyclin E-CDK3/p35-CDK5 respectively; less potent against cyclin H-CDK7 and cyclin D3-CDK6.; IC50 value: 1 nM/2 nM/3 nM/4 nM/5 nM(cyclin T1-CDK9/cyclin B1-CDK1/cyclin E-CDK2/cyclin D1-CDK4/cyclin E-CDK3/p35-CDK5) [1]; Target: CDK inhibitor; RGB-286638 inhibited several tyrosine and serine/threonine non-CDK enzymes, i.e. MedChem Express HY-15504A

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 50.01
Polar Surface Area: 115 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

Click to predict properties on the Chemicalize site






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