ChemSpider 2D Image | Ipatasertib | C24H32ClN5O2

Ipatasertib

  • Molecular FormulaC24H32ClN5O2
  • Average mass457.996 Da
  • Monoisotopic mass457.224457 Da
  • ChemSpider ID28189084

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Ipatasertib [INN] [USAN] [Wiki]
(2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-[(propan-2-yl)amino]propan-1-one
(2S)-2-(4-Chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl}-3-(isopropylamino)-1-propanone [ACD/IUPAC Name]
(2S)-2-(4-Chlorophényl)-1-{4-[(5R,7R)-7-hydroxy-5-méthyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-pipérazinyl}-3-(isopropylamino)-1-propanone [French] [ACD/IUPAC Name]
(2S)-2-(4-Chlorphenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl}-3-(isopropylamino)-1-propanon [German] [ACD/IUPAC Name]
(S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one
1001264-89-6 [RN]
1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)- [ACD/Index Name]
524Y3IB4HQ
GDC 0068
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9633 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Akt MedChem Express HY-15186
      GDC-0068(RG 7440) is a highly selective pan-Akt inhibitor targeting Akt1/2/3 with IC50 of 5 nM/18 nM/8 nM, 620-fold selectivity over PKA.; IC50 value: 5 nM/18 nM/8 nM(Akt1/2/3) [1]; Target: Akt1/2/3; in vitro: Testing against a broad panel of 230 kinases, GDC-0068 only inhibits 3 kinases by >70% at 1 ?M concentration (PRKG1?, PRKG1?, and p70S6K, with IC50 of 98 nM, 69 nM, and 860 nM, respectively). MedChem Express HY-15186
      PI3K/Akt/mTOR MedChem Express HY-15186
      PI3K/Akt/mTOR; MedChem Express HY-15186

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.7±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.03
Polar Surface Area: 82 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 365.2±3.0 cm3

Click to predict properties on the Chemicalize site


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