ChemSpider 2D Image | Tanzisertib | C21H23F3N6O2

Tanzisertib

  • Molecular FormulaC21H23F3N6O2
  • Average mass448.441 Da
  • Monoisotopic mass448.183472 Da
  • ChemSpider ID28492361

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

899805-25-5 [RN]
Cyclohexanol, 4-[[9-[(3S)-tetrahydro-3-furanyl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl]amino]-, trans- [ACD/Index Name]
Tanzisertib [INN] [USAN]
Tanzisertib [Spanish] [INN]
Tanzisertib [French] [INN]
Tanzisertibum [INN]
trans-4-({9-[(3S)-Tetrahydro-3-furanyl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol [ACD/IUPAC Name]
trans-4-({9-[(3S)-Tétrahydro-3-furanyl]-8-[(2,4,6-trifluorophényl)amino]-9H-purin-2-yl}amino)cyclohexanol [French] [ACD/IUPAC Name]
trans-4-({9-[(3S)-Tetrahydro-3-furanyl]-8-[(2,4,6-trifluorphenyl)amino]-9H-purin-2-yl}amino)cyclohexanol [German] [ACD/IUPAC Name]
(1S,4r)-4-((9-((S)-tetrahydrofuran-3-yl)-8-((2,4,6-trifluorophenyl)amino)-9H-purin-2-yl)amino)cyclohexan-1-ol
More...

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

9557 [DBID]
CC-930 [DBID]
M5O06306UO [DBID]
UNII:M5O06306UO [DBID]
UNII-M5O06306UO [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CC-930(Tanzisertib) is a selective and potent JNK1/JNK2/JNK3(IC50=61/7/6 nM) inhibitor and is currently under clinical development for fibrotic and infammatory indications. MedChem Express
      CC-930(Tanzisertib) is a selective and potent JNK1/JNK2/JNK3(IC50=61/7/6 nM) inhibitor and is currently under clinical development for fibrotic and infammatory indications.; IC50 Value: 61 nM (JNK1); 7 nM (JNK2); 6 nM (JNK3) [1]; Target: JNK1/2/3; in vitro: Compound 1 (CC-930) showed remarkable selectivity in a panel of 240 kinases, EGFR being the only non-MAP kinase inhibited more than 50% at 3 lM (IC50 = 0.38 lM). MedChem Express HY-15495
      CC-930(Tanzisertib) is a selective and potent JNK1/JNK2/JNK3(IC50=61/7/6 nM) inhibitor and is currently under clinical development for fibrotic and infammatory indications.;IC50 Value: 61 nM (JNK1); 7 nM (JNK2); 6 nM (JNK3) [1];Target: JNK1/2/3;In vitro: Compound 1 (CC-930) showed remarkable selectivity in a panel of 240 kinases, EGFR being the only non-MAP kinase inhibited more than 50% at 3 lM (IC50 = 0.38 lM). It inhibited no receptor at greater than 50% at 10 lM concentration in a panel of 75 receptors, ion channels and neurotransmitter transporters. Finally, when tested against 22 diverse non-kinase enzymes at 10 lM, no inhibition greater than 50% was observed [1]. Incubation with CC-930 prevented the phosphorylation of c-Jun and reduced the stimulatory levels of these cytokines on the release of collagen [2].;In vivo: Inhibition of JNK by CC-930 prevented dermal thickening, myofibroblast differentiation and the accumulation of collagen in a dose-dependent manner in mice chal MedChem Express HY-15495
      JNK MedChem Express HY-15495
      MAPK MedChem Express HY-15495
      MAPK; MedChem Express HY-15495

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

Density: 1.6±0.1 g/cm3
Boiling Point: 626.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.6±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.73
ACD/KOC (pH 5.5): 564.57
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.48
ACD/KOC (pH 7.4): 584.47
Polar Surface Area: 97 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 274.6±7.0 cm3

Click to predict properties on the Chemicalize site


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