ChemSpider 2D Image | Dinaciclib | C21H28N6O2

Dinaciclib

  • Molecular FormulaC21H28N6O2
  • Average mass396.486 Da
  • Monoisotopic mass396.227386 Da
  • ChemSpider ID25027387

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2S)-1-(3-Ethyl-7-{[(1-oxido-3-pyridinyl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-piperidinyl]ethanol [German] [ACD/IUPAC Name]
2-[(2S)-1-(3-Ethyl-7-{[(1-oxido-3-pyridinyl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-piperidinyl]ethanol [ACD/IUPAC Name]
2-[(2S)-1-(3-Éthyl-7-{[(1-oxydo-3-pyridinyl)méthyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-pipéridinyl]éthanol [French] [ACD/IUPAC Name]
2-Piperidineethanol, 1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-, (2S)- [ACD/Index Name]
3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]pyridin-1-ium-1-olate
4V8ECV0NBQ
779353-01-4 [RN]
Dinaciclib [Wiki]
SCH 727965
SCH727965
More...

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

9157 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CDK MedChem Express HY-10492
      Cell Cycle/DNA Damage MedChem Express HY-10492
      Cell Cycle/DNA Damage; MedChem Express HY-10492
      Dinaciclib (SCH727965) is a novel and potent CDK inhibitor for CDK2, CDK5, CDK1 and CDK9 with IC50 of 1 nM, 1 nM, 3 nM and 4 nM, respectively.; IC50 Value: 1 nM (CDK2); 1 nM(CDK5); 3 nM(CDK1); 4 nM(CDK9); Target: CDK2/5/1/9; in vitro: Dinaciclib is a potent DNA replication inhibitor that blocks thymidine (dThd) DNA incorporation in A2780 cells with IC50 of 4 nM. MedChem Express HY-10492
      Dinaciclib (SCH727965) is a novel and potent CDK inhibitor for CDK2, CDK5, CDK1 and CDK9 with IC50 of 1 nM, 1 nM, 3 nM and 4 nM, respectively.;IC50 Value: 1 nM (CDK2); 1 nM(CDK5); 3 nM(CDK1); 4 nM(CDK9);Target: CDK2/5/1/9;In vitro: Dinaciclib is a potent DNA replication inhibitor that blocks thymidine (dThd) DNA incorporation in A2780 cells with IC50 of 4 nM. Dinaciclib inhibits melanoma cell proliferation, and drives melanoma cells into massive apoptosis. Dinaciclib induces the apoptosis of several osteosarcoma cell lines including those resistant to doxorubicin and dasatinib. Dinaciclib attenuates the phosphorylation of RNAP II at serine 2 and the phosphorylation of the CDK inhibitor p27Kip1 at threonine 187. Reductions in phosphorylation activity occurrs at 12 - 40 nM Dinaciclib (4 to 16 hours post-Dinaciclib addition). Dinaciclib also reduces the phosphorylation of Rb at serine 807/811. Dinaciclib induces the apoptosis of mock- and p53-depleted U2OS cells to a similar extent. MedChem Express HY-10492

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 62.75
Polar Surface Area: 91 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 296.6±7.0 cm3

Click to predict properties on the Chemicalize site


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