ChemSpider 2D Image | AT-13148 | C17H16ClN3O

AT-13148

  • Molecular FormulaC17H16ClN3O
  • Average mass313.781 Da
  • Monoisotopic mass313.098175 Da
  • ChemSpider ID32058594
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1S)-2-Amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol [ACD/IUPAC Name]
(1S)-2-Amino-1-(4-chlorophényl)-1-[4-(1H-pyrazol-4-yl)phényl]éthanol [French] [ACD/IUPAC Name]
(1S)-2-Amino-1-(4-chlorphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol [German] [ACD/IUPAC Name]
1056901-62-2 [RN]
A49037RP1E
AT-13148
Benzenemethanol, α-(aminomethyl)-α-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)-, (αS)- [ACD/Index Name]
(1S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHAN-1-OL
(αS)-α-(aminomethyl)-α-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)-benzenemethanol
(S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethan-1-ol
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Akt MedChem Express HY-16071
      AT13148 is a novel, oral multi-AGC kinase inhibitor with potent pharmacodynamic and antitumor activity; AKT, p70S6K, PKA, ROCK, and SGK inhibitor. MedChem Express
      AT13148 is a novel, oral multi-AGC kinase inhibitor with potent pharmacodynamic and antitumor activity; AKT, p70S6K, PKA, ROCK, and SGK inhibitor.; IC50 value:; Target: AGC kinase; AT13148 caused substantial blockade of AKT, p70S6K, PKA, ROCK, and SGK substrate phosphorylation and induced apoptosis in a concentration and time-dependent manner in cancer cells with clinically relevant genetic defects in vitro and in vivo. MedChem Express HY-16071
      AT13148 is a novel, oral multi-AGC kinase inhibitor with potent pharmacodynamic and antitumor activity; AKT, p70S6K, PKA, ROCK, and SGK inhibitor.;IC50 value:;Target: AGC kinaseAT13148 caused substantial blockade of AKT, p70S6K, PKA, ROCK, and SGK substrate phosphorylation and induced apoptosis in a concentration and time-dependent manner in cancer cells with clinically relevant genetic defects in vitro and in vivo. Antitumor efficacy in HER2-positive, PIK3CA-mutant BT474 breast, PTEN-deficient PC3 human prostate cancer, and PTEN-deficient MES-SA uterine tumor xenografts was shown. We show for the first time that induction of AKT phosphorylation at serine 473 by AT13148, as reported for other ATP-competitive inhibitors of AKT, is not a therapeutically relevant reactivation step. Gene expression studies showed that AT13148 has a predominant effect on apoptosis genes, whereas the selective AKT inhibitor CCT128930 modulates cell-cycle genes. Induction of upstream regulators including MedChem Express HY-16071
      PI3K/Akt/mTOR MedChem Express HY-16071
      PI3K/Akt/mTOR; MedChem Express HY-16071

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.2±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.56
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 12.25
ACD/KOC (pH 7.4): 130.39
Polar Surface Area: 75 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

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