Deoxyneocryptotanshinone

Names

[ Name ]:
Deoxyneocryptotanshinone

[Synonym ]:
3-Hydroxy-2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-1,4-phenanthrenedione
1,4-Phenanthrenedione, 5,6,7,8-tetrahydro-3-hydroxy-8,8-dimethyl-2-(1-methylethyl)-

Biological Activity

[Description]:

Deoxyneocryptotanshinone, a natural tanshinone, is a high affinity BACE1 (Beta-secretase) inhibitor with an IC50 value of 11.53 μM. Deoxyneocryptotanshinone shows a promising dose-dependent inhibition of protein tyrosine phosphatase 1B (PTP1B) with an IC50 value of 133.5 μM. Deoxyneocryptotanshinone can be used for Alzheimer's disease research[1][2].

[Related Catalog]:

Signaling Pathways >> Neuronal Signaling >> Beta-secretase

Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase

Research Areas >> Neurological Disease

[Target]

IC50: 11.53 μM (BACE1)[1] and 133.5 μM (PTP1B)[2]

[References]

[1]. Ting Yu, et al. Computational insights into β-site amyloid precursor protein enzyme 1 (BACE1) inhibition by tanshinones and salvianolic acids from Salvia miltiorrhiza via molecular docking simulations. Comput Biol Chem. 2018 Jun;74:273-285.

[2]. Da Hye Kim, et al. Characterization of the inhibitory activity of natural tanshinones from Salvia miltiorrhiza roots on protein tyrosine phosphatase 1B. Chem Biol Interact. 2017 Dec 25;278:65-73.

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
468.0±45.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₉H₂₂O₃

[ Molecular Weight ]:
298.376

[ Flash Point ]:
251.0±25.2 °C

[ Exact Mass ]:
298.156891

[ PSA ]:
54.37000

[ LogP ]:
5.74

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.583

Safety Information

[ Hazard Codes ]:
Xi