YH-53|1471484-62-4|-陌孚医药/Medlife

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YH-53

目录号: PL11138 纯度: ≥98%

CAS No. :1471484-62-4

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中文名称	YH-53
英文名称	YH-53
英文别名	N-[(1S)-1-[[[(1S)-2-(2-Benzothiazolyl)-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]ethyl]amino]carbonyl]-3-methylbutyl]-4-methoxy-1H-indole-2-carboxamide;jm5b01461, Compound 59;YH53;GTPL11646;BDBM429242;compound 5h [PMID: 23994330];compound 5h [PMID: 33510133];2-[N-[(4-Methoxy-1H-indole-2-yl)carbonyl]-Leu-3-[(3S)-2-oxopyrrolidine-3-yl]-Ala-]benzothiazole;YH-53
Cas No.	1471484-62-4
分子式	C₃₀H₃₃N₅O₅S
分子量	575.68
包装储存	Powder -20°C 3 years；4°C 2 years

产品详情	YH-53 是一种有效的 3CL^pro 抑制剂，对 SARS-CoV-1 3CL^pro 和 SARS-CoV-2 3CL^pro 的 K_i 值分别为 6.3 nM、34.7 nM。YH-53 强烈阻止 SARS-CoV-2 复制。YH-53 是一种具有独特苯并噻唑基酮的拟肽化合物。YH-53 具有用于 COVID-19 研究的潜力。
生物活性	YH-53 is a potent 3CL inhibitor with K i values of 6.3 nM, 34.7 nM for SARS-CoV-1 3CL and SARS-CoV-2 3CL, respectively. YH-53 strongly blocks the SARS-CoV-2 replication. YH-53 is a peptidomimetic compound with a unique benzothiazolyl ketone. YH-53 has the potential for COVID-19 research.
性状	Solid
IC50 & Target[1][2]	Ki: 6.3 nM (SARS-CoV-1 3CL) and 34.7 nM (SARS-CoV-2 3CL)
体外研究(In Vitro)	YH-53 (1-25 μM; for 24 h) efficiently reduces copies of total RNA with increased concentrations in VeroE6/TMPRSS2 cells. YH-53 (1, 5, 10, 15, 20, 25 μM; for 48 h) with 10 μM completely blocks the viral proliferation against SARS-CoV-2 were examined by a cytopathic effect (CPE) assay in Vero cells. YH-53 (10, 100 μM; for 24 h) has no cytotoxicity with a CC50 value of >100 μM in vero cells. YH-53 (10 μM) moderately inhibits CYP1A2, CYP2D6, and CYP2C8 (26.6%, 38.0%, 66.4%, respectively). YH-53 has no inhibition on CYP2C9 and CYP3A4. YH-53 inhibits SARS-CoV 3CL with an IC50 of 0.74 μM. has not independently confirmed the accuracy of these methods. They are for reference only.
体内研究(In Vivo)	YH-53 (0.1 mg/kg; iv) has a T 1/2 of 2.97 hours, an AUC 0–∞ of 19.7 ng?h/mL, a V d of 3.51 L/kg in rats. YH-53 (0.5 mg/kg; oral) has a T 1/2 of 9.64 hours, an AUC 0–∞ of 3.49 ng?h/mL, a C max of 1.08 ng/mL in rats. has not independently confirmed the accuracy of these methods. They are for reference only.
运输条件	Room temperature in continental US; may vary elsewhere.
储存方式	Powder -20°C 3 years；4°C 2 years
参考文献	[1]. Sho Konno, et al. 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents. J Med Chem. 2021 Jul27;acs.jmedchem.1c00665. [2]. Pillaiyar Thanigaimalai, et al. Development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds: design, synthesis, biological evaluation, and docking studies. Eur J Med Chem. 2013 Oct;68:372-84.

溶解度数据	In Vitro: DMSO : 50 mg/mL (86.85 mM; Need ultrasonic)配制储备液

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1：一般建议：溶解度为Medlife测试数据，可能与文献描述存在差异。这是由于生产工艺和批次不同产生的正常现象。为了使其更好的溶解，请用37℃加热试管并在超声波水浴中震动片刻。不同批次产品溶解度各有差异，仅做参考，具体以实验方案为准。

2：储存条件：粉末-20°C一般情况可以保存3年，溶于溶剂-80°C一般情况可以保存1年。不同产品及不同批次产品可能存在差异，请细致阅读产品信息，并辅助参考相关文献描述。

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