ChemSpider 2D Image | PF-3758309 | C25H30N8OS

PF-3758309

  • Molecular FormulaC25H30N8OS
  • Average mass490.624 Da
  • Monoisotopic mass490.226318 Da
  • ChemSpider ID25069694

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

898044-15-0 [RN]
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)-1H,4H-pyrrolo[3,4-c]pyrazole-5-carboxamide
N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide [ACD/IUPAC Name]
N-[(1S)-2-(Diméthylamino)-1-phényléthyl]-6,6-diméthyl-3-[(2-méthylthiéno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide [French] [ACD/IUPAC Name]
PF-03758309
PF-3758309
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxamide, N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4,6-dihydro-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]- [ACD/Index Name]
(3E)-N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3H)-carboxamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PK459EA5I2 [DBID]
UNII:PK459EA5I2 [DBID]
UNII-PK459EA5I2 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13007
      Cell Cycle/DNA Damage; MedChem Express HY-13007
      p21-activated Kinases (PAKs) MedChem Express HY-13007
      PF-3758309 is an inhbitor of PAKs with IC50 of 1.3 nM for PAK4; inhbits tumor growth in HCT116, A549, M24met and other xenograft tumor models.. MedChem Express
      PF-3758309 is an inhbitor of PAKs with IC50 of 1.3 nM for PAK4; inhbits tumor growth in HCT116, A549, M24met and other xenograft tumor models..; IC50 Value: 1.3 nM (PAK4); Target: PAKs; in vitro: PF-3758309, a potent (K(d) = 2.7 nM), ATP-competitive, pyrrolopyrazole inhibitor of PAK4. MedChem Express HY-13007
      PF-3758309 is an inhbitor of PAKs with IC50 of 1.3 nM for PAK4; inhbits tumor growth in HCT116, A549, M24met and other xenograft tumor models..;IC50 Value: 1.3 nM (PAK4);Target: PAKs;In vitro: PF-3758309, a potent (K(d) = 2.7 nM), ATP-competitive, pyrrolopyrazole inhibitor of PAK4. In cells, PF-3758309 inhibits phosphorylation of the PAK4 substrate GEF-H1 (IC(50) = 1.3 nM) and anchorage-independent growth of a panel of tumor cell lines (IC(50) = 4.7 +/- 3 nM). PF-3758309, which exhibits relatively good selectivity and high potency for PAKs. Experiments using PF-3758309 confirm that inhibiting PAK is a beneficial strategy to combat some tumors, and this activity is likely related to modulation of both cell proliferation and survival. ;In vivo: Researcher used a nude mouse xenograft model of 2-S (HCT116 and RKO) and 2-R (SW948 and GEO) CRC cell lines and treated them with PF-3758309 for 14 days. Tumor volumes were measured twice weekly throughout the experiment and the responses of MedChem Express HY-13007

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.6±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 86.15
ACD/KOC (pH 7.4): 541.85
Polar Surface Area: 130 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 370.2±3.0 cm3

Click to predict properties on the Chemicalize site


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