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54984-93-9

54984-93-9 structure
54984-93-9 structure
  • Name: Acetylshikonin
  • Chemical Name: acethylshikonin
  • CAS Number: 54984-93-9
  • Molecular Formula: C18H18O6
  • Molecular Weight: 330.33200
  • Catalog: Signaling Pathways Metabolic Enzyme/Protease Cytochrome P450
  • Create Date: 2018-08-10 17:52:31
  • Modify Date: 2024-01-03 18:11:32
  • 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].

Name acethylshikonin
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
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
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.  

Molecular Formula C18H18O6
Molecular Weight 330.33200
Exact Mass 330.11000
PSA 100.90000
LogP 2.69120