69431-87-4

69431-87-4 structure

Name: Setomimycin
Chemical Name: 4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
CAS Number: 69431-87-4
Molecular Formula: C₃₄H₂₈O₉
Molecular Weight: 580.58
Create Date: 2016-01-12 04:02:11
Modify Date: 2025-08-26 20:45:41
Setomimycin is a potent antibiotic. Setomimycin inhibits the SARS-CoV-2 Mpro enzyme with an IC50 value of 12.02 µM. Setomimycin shows anti-inflammatory and antioxidant properties. Setomimycin shows antiproliferative and antitumor activity[1][2].

Name	4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
Synonyms	AM-2947 Setomimycin

Description	Setomimycin is a potent antibiotic. Setomimycin inhibits the SARS-CoV-2 Mpro enzyme with an IC50 value of 12.02 µM. Setomimycin shows anti-inflammatory and antioxidant properties. Setomimycin shows antiproliferative and antitumor activity[1][2].
Related Catalog	Research Areas >> Cancer Research Areas >> Infection Signaling Pathways >> Anti-infection >> SARS-CoV Signaling Pathways >> Anti-infection >> Bacterial
Target	IC50: 12.02 µM (SARS-CoV-2 Mpro)[1]
In Vitro	Setomimycin (0.01-1 µM) 以剂量依赖性方式抑制细胞因子 IL-1β、IL-6 和 TNF-α 的释放以及一氧化氮的释放在 LPS 刺激的 RAW 264.7 细胞中[1]。 Setomimycin (compound 1) 显示出抗菌活性，对 Staphylococcus aureus, Bacillus cereus, Bacillus subtilis, Micrococcus luteus 的 MIC 分别为 8、4、16、4 μg/mL [2]. Setomimycin (0-100 µM；5 天) 显示出抗增殖活性并抑制集落形成[2]。 Setomimycin (4, 5.5, 7 µM) 降低 p-MEK、p-ERK、Bcl-2 的蛋白表达，增加 Par-4 的表达[2]。 Cell Proliferation Assay[2] Cell Line: A549; HOP-92; Panc-1; MiaPaca-2 cells Concentration: 0-100 µM Incubation Time: 44 h Result: Showed antiproliferative activity with IC50s of 11.45, >100, 48, 4.57 µM for A549; HOP-92; Panc-1; MiaPaca-2 cells, respectively. Western Blot Analysis[2] Cell Line: MCF-7, HCT-116 cells Concentration: 4, 5.5, 7 µM Incubation Time: Result: Decreased the protein expression of p-MEK, p-ERK, Bcl-2, increased the expression of Par-4 in a dose-dependent manner.
In Vivo	Setomimycin (20 mg/kg；i.p.；隔天给药两周) 在小鼠体内显示出抗肿瘤活性[2]。 Animal Model: 6 weeks, 25-30 g, female BALB/c mice (4T1 cells)[2] Dosage: 20 mg/kg Administration: I.p.; every other day for two weeks Result: Decreased primary tumor weight (76%) and volume (90.5%).
References	[1]. Manhas RS, et al. Setomimycin as a potential molecule for COVID‑19 target: in silico approach and in vitro validation. Mol Divers. 2023 Apr;27(2):619-633. [2]. Manhas RS, et al. Isolation and anticancer activity evaluation of rare Bisaryl anthraquinone antibiotics from novel Streptomyces sp. strain of NW Himalayan region. Chem Biol Interact. 2022 Sep 25;365:110093.

Density	1.479g/cm3
Boiling Point	841.9ºC at 760 mmHg
Molecular Formula	C₃₄H₂₈O₉
Molecular Weight	580.58
Flash Point	476.8ºC
Exact Mass	580.17300
PSA	169.43000
LogP	5.30760
Index of Refraction	1.73

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