ChemSpider 2D Image | ribociclib | C23H30N8O

ribociclib

  • Molecular FormulaC23H30N8O
  • Average mass434.537 Da
  • Monoisotopic mass434.254272 Da
  • ChemSpider ID30798107

More details:






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

1211441-98-3 [RN]
7-Cyclopentyl-N,N-dimethyl-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-Cyclopentyl-N,N-dimethyl-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-Cyclopentyl-N,N-diméthyl-2-{[5-(1-pipérazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, 7-cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]- [ACD/Index Name]
9968
LEE011A
ribociclib [INN] [USAN]
ribociclib [Spanish] [INN]
ribociclib [French] [INN]
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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 2273
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2273
      no pictogram Axon Medchem 2273
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2273
      Warning Axon Medchem 2273
    • Bio Activity:

      CDK MedChem Express HY-15777
      Cell Cycle/DNA Damage MedChem Express HY-15777
      Cell Cycle/DNA Damage; MedChem Express HY-15777
      LEE011 is an orally available cyclin-dependent kinase (CDK) inhibitor targeting cyclin D1/CDK4 and cyclin D3/CDK6 cell cycle pathway, with potential antineoplastic activity. MedChem Express http://www.medchemexpress.com/whi-p180.html, HY-15777
      LEE011 is an orally available cyclin-dependent kinase (CDK) inhibitor targeting cyclin D1/CDK4 and cyclin D3/CDK6 cell cycle pathway, with potential antineoplastic activity. ;IC50 Value: 307 ? 68 nM (neuroblastoma-derived cell lines) [1];Target: CDK4;CDK6;In vitro: CDK4/6 inhibitor LEE011 specifically inhibits CDK4 and 6, thereby inhibiting retinoblastoma (Rb) protein phosphorylation. Inhibition of Rb phosphorylation prevents CDK-mediated G1-S phase transition, thereby arresting the cell cycle in the G1 phase, suppressing DNA synthesis and inhibiting cancer cell growth. Overexpression of CDK4/6, as seen in certain types of cancer, causes cell cycle deregulation.Treatment with LEE011 significantly reduced proliferation in 12 of 17 human neuroblastoma-derived cell lines by inducing cytostasis at nanomolar concentrations (mean IC50 = 307 ? 68 nmol/L in sensitive lines). LEE011 caused cell-cycle arrest and cellular senescence that was attributed to dose-dependent decreases in phosphory MedChem Express HY-15777

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.8±35.7 °C
Index of Refraction: 1.723
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.63
Polar Surface Area: 91 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 311.4±7.0 cm3

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