CAS 54984-93-9|Acetylshikonin
Introduction：Basic information about CAS 54984-93-9|Acetylshikonin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Acetylshikonin | ||
|---|---|---|---|
| CAS Number | 54984-93-9 | Molecular Weight | 330.33200 |
| Density | / | Boiling Point | / |
| Molecular Formula | C18H18O6 | Melting Point | / |
| MSDS | / | Flash Point | / |
Names
| Name | acethylshikonin |
|---|---|
| Synonym | More Synonyms |
Acetylshikonin BiologicalActivity
| Description | DL-Acetylshikonin is a non-selective, reversible Cytochrome P450 inhibitor with IC50 values of 1.4-4.0 μM. DL-Acetylshikonin has anti-cancer and anti-inflammatory activities[1]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Inflammation/Immunology |
| Target | CYP2C8:1.4 μM (IC50) CYP2B6:2.0 μM (IC50) CYP3A:2.3 μM (IC50) CYP2C19:2.5 μM (IC50) CYP2D6:2.5 μM (IC50) CYP2E1:2.7 μM (IC50) CYP2C9:3.3 μM (IC50) CYP2J2:3.3 μM (IC50) CYP2A6:3.8 μM (IC50) CYP1A2:4.0 μM (IC50) |
| In Vitro | DL-Acetylshikonin 抑制 CYP3A 介导的睾酮 (testosterone) 和 Nifedipine (HY-B0284) 代谢，IC50 值分别为 5.2 μM 和 3.0 μM，表明其以不依赖底物的方式抑制 CYP3A 活性[1]。 DL-Acetylshikonin 不是一种时间依赖性抑制剂[1]。 |
| References | [1]. Shon JC, et al. Acetylshikonin is a novel non-selective cytochrome P450 inhibitor. Biopharm Drug Dispos. 2017 Dec;38(9):553-556. |
Chemical & Physical Properties
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.33200 |
| Exact Mass | 330.11000 |
| PSA | 100.90000 |
| LogP | 2.69120 |
| InChIKey | WNFXUXZJJKTDOZ-UHFFFAOYSA-N |
| SMILES | CC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O |
Synonyms
| shikonin acetate |
| 1'O-acetylshikonin |
| 2-[1-(acetyloxy)-4-methyl-3-pentenyl]naphthazarin |
| acetyl shikonin |
| 1,4-Naphthalenedione,2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy |
