Introduction：Basic information about 5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione CAS 27468-20-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Table of Contents
- 1. 5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Basic information
- 2. 5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Chemical Properties
- 3. Safety Information
- 4. 5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Usage And Synthesis
- 5. 5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Preparation Products And Raw materials
5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Basic information
| Product Name: | 5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione |
| Synonyms: | 5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione;Deoxyneocryptotanshinone;Neocryptotanshinone Ⅱ;1,4-Phenanthrenedione, 5,6,7,8-tetrahydro-3-hydroxy-8,8-dimethyl-2-(1-methylethyl)-;1,4-Phenanthrenedione, 5,6,7,8-tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl- |
| CAS: | 27468-20-8 |
| MF: | C19H22O3 |
| MW: | 298.38 |
| EINECS: | |
| Product Categories: | |
| Mol File: | 27468-20-8.mol |
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5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Chemical Properties
| 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 |
Safety Information
5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Usage And Synthesis
| 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 |
5,6,7,8-Tetrahydro-3-hydroxy-2-isopropyl-8,8-dimethyl-1,4-phenanthrenedione Preparation Products And Raw materials
