CAS 27468-20-8|Deoxyneocryptotanshinone

Introduction：Basic information about CAS 27468-20-8|Deoxyneocryptotanshinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Deoxyneocryptotanshinone BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Deoxyneocryptotanshinone
CAS Number	27468-20-8	Molecular Weight	298.376
Density	1.2±0.1 g/cm3	Boiling Point	468.0±45.0 °C at 760 mmHg
Molecular Formula	C₁₉H₂₂O₃	Melting Point	/
MSDS	/	Flash Point	251.0±25.2 °C

Names

Name	Deoxyneocryptotanshinone
Synonym	More Synonyms

Deoxyneocryptotanshinone BiologicalActivity

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-secretaseSignaling Pathways >>Metabolic Enzyme/Protease >>PhosphataseResearch 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
InChIKey	UPLOJIODCUTBOZ-UHFFFAOYSA-N
SMILES	CC(C)C1=C(O)c2ccc3c(c2C(=O)C1=O)CCCC3(C)C

Safety Information

Hazard Codes	Xi

Synonyms

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)-

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