| Identification | Back Directory | [Name]
5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione | [CAS]
27468-20-8 | [Synonyms]
Neocryptotanshinone Ⅱ
Deoxyneocryptotanshinone
5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione
1,4-Phenanthrenedione, 5,6,7,8-tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-
1,4-Phenanthrenedione, 5,6,7,8-tetrahydro-3-hydroxy-8,8-dimethyl-2-(1-methylethyl)- | [Molecular Formula]
C19H22O3 | [MOL File]
27468-20-8.mol | [Molecular Weight]
298.38 |
| Chemical Properties | Back Directory | [Boiling point ]
468.0±45.0 °C(Predicted) | [density ]
1.179±0.06 g/cm3(Predicted) | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Powder | [pka]
4.50±1.00(Predicted) | [InChI]
InChI=1S/C19H22O3/c1-10(2)14-16(20)12-7-8-13-11(6-5-9-19(13,3)4)15(12)18(22)17(14)21/h7-8,10,21H,5-6,9H2,1-4H3 | [InChIKey]
BIDSIGUBHQOWEC-UHFFFAOYSA-N | [SMILES]
C1(=O)C2=C(C3=C(C=C2)C(C)(C)CCC3)C(=O)C(O)=C1C(C)C |
| Hazard Information | Back Directory | [Uses]
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]. | [target]
NF-kB | NOS | [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. DOI:10.1016/j.compbiolchem.2018.04.008
[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. DOI:10.1016/j.cbi.2017.10.013 |
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