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Rottlerin C30H28O8 structure – Flashcards

Flashcard maker : Patrick Turner

Contents

Experimental Melting Point:
Experimental Solubility:
Bio Activity:

Molecular Formula	C₃₀H₂₈O₈
Average mass	516.539 Da
Density	1.4±0.1 g/cm³
Boiling Point	800.4±65.0 °C at 760 mmHg
Flash Point	266.0±27.8 °C
Molar Refractivity	143.4±0.3 cm³
Polarizability	56.8±0.5 10^-24cm³
Surface Tension	67.4±3.0 dyne/cm
Molar Volume	378.8±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties

Experimental Melting Point:

200 °C Indofine
[027309]

212 °C Jean-Claude Bradley Open Melting Point Dataset 25595

200 °C Indofine
[027309]
,
[027309]

Experimental Solubility:

Soluble to 2 mM in ethanol and to 100 mM in DMSO Tocris Bioscience 1610

Soluble to 2 mM in ethanol with gentle warming and to 100 mM in DMSO Tocris Bioscience 1610

Soluble to 2 mM in ethanol with gentle warming and to 20 mM in DMSO Tocris Bioscience 1610

Miscellaneous

Bio Activity:

Enzymes Tocris Bioscience 1610

Kinases Tocris Bioscience 1610

Originally reported to inhibit PKC isoforms. Also reported to inhibit CAM kinase III. However, recently shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K
2 (IC50 values are 1.9 and 5 ?M respectively). Also shown to act as a direct mitochondrial uncoupler. Thought to stimulate autophagy by targeting upstream mTORC1 control pathways. Tocris Bioscience 1610

Originally reported to inhibit PKC isoforms. Also reported to inhibit CAM kinase III. However, recently shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K2 (IC50 values are 1.9 and 5 ?M respectively). Also shown to act as a direct mitochondrial uncoupler. Thought to stimulate autophagy by targeting upstream mTORC1 control pathways. Tocris Bioscience 1610

Protein Kinase C Tocris Bioscience 1610

Reported PKC? inhibitor Tocris Bioscience 1610

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

Density:	1.4±0.1 g/cm³
Boiling Point:	800.4±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization:	120.4±3.0 kJ/mol
Flash Point:	266.0±27.8 °C
Index of Refraction:	1.682
Molar Refractivity:	143.4±0.3 cm³
#H bond acceptors:	8
#H bond donors:	5
#Freely Rotating Bonds:	6
#Rule of 5 Violations:	3

ACD/LogP:	8.66
ACD/LogD (pH 5.5):	6.79
ACD/BCF (pH 5.5):	83308.73
ACD/KOC (pH 5.5):	113419.69
ACD/LogD (pH 7.4):	5.84
ACD/BCF (pH 7.4):	9376.03
ACD/KOC (pH 7.4):	12764.89
Polar Surface Area:	145 Å²
Polarizability:	56.8±0.5 10^-24cm³
Surface Tension:	67.4±3.0 dyne/cm
Molar Volume:	378.8±3.0 cm³

Click to predict properties on the Chemicalize site

Rottlerin C30H28O8 structure – Flashcards

Experimental Melting Point:

Experimental Solubility:

Bio Activity:

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