SARS-CoV-2-IN-32

• 常用名: SARS-CoV-2-IN-32
• 英文名: SARS-CoV-2-IN-32
• CAS号: 96068-42-7
• 分子量: 481.50300
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₇H₂₃N₅O₄
• 熔点: N/A
• 闪点: N/A

SARS-CoV-2-IN-32用途

SARS-CoV-2-IN-32(化合物3g)是一种新冠肺炎抑制剂。SARS-CoV-2-IN-32对癌细胞具有抗增殖活性。SARS-CoV-2-IN-32对新冠肺炎主要蛋白酶(Mpro)(PDB ID:6LU7)具有较高的结合亲和力(-8.8 Kcal/mol)。SARS-CoV-2-IN-32可用于癌症和新冠肺炎的研究[1]。

SARS-CoV-2-IN-32名称

• 英文名: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one

SARS-CoV-2-IN-32生物活性

• 描述: SARS-CoV-2-IN-32(化合物3g)是一种新冠肺炎抑制剂。SARS-CoV-2-IN-32对癌细胞具有抗增殖活性。SARS-CoV-2-IN-32对新冠肺炎主要蛋白酶(Mpro)(PDB ID:6LU7)具有较高的结合亲和力(-8.8 Kcal/mol)。SARS-CoV-2-IN-32可用于癌症和新冠肺炎的研究[1]。
• 相关类别:
  研究领域 >> 癌症
  研究领域 >> 感染
  信号通路 >> 抗感染 >> SARS冠状病毒
• 靶点实验:

  COVID-19[1].

• 体外研究: SARS-CoV-2-IN-32(0-40µM；48 h)在MCF-7、MDA-MB-231、HeLa和PC-3细胞中表现出抗增殖活性[1]。细胞增殖试验[1]细胞株：MCF-7、MDA-MB-231、HeLa、PC-3、石川和浩、HEK-293浓度：0-40µM培养时间：48 h结果：抑制MCF-7,MDA-MB-231,HeLa,PC-3,石川和海原-293细胞的增殖,IC50值分别为35.64、39.56、38.32、35.38、>40和>40μM。
• 参考文献:

  [1]. Gupta A, et al. Visible Light-Promoted Green and Sustainable Approach for One-Pot Synthesis of 4, 4’-(Arylmethylene) bis (1H-pyrazol-5-ols), In Vitro Anticancer Activity, and Molecular Docking with Covid-19 Mpro. ACS Omega, 2022.

SARS-CoV-2-IN-32物理化学性质

• 分子式: C₂₇H₂₃N₅O₄
• 分子量: 481.50300
• 精确质量: 481.17500
• PSA: 121.40000
• LogP: 4.87300
• InChIKey: KFOMNSILEPOUOI-UHFFFAOYSA-N
• SMILES: Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)[nH]n(-c2ccccc2)c1=O

SARS-CoV-2-IN-32靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

实验名称：Confirmed inhibitors of the Choline Transporter (CHT) 来源：1043 靶标：high affinity choline transporter 1 [Homo sapiens] External Id：SAID_488997

实验名称：Absorbance-based primary biochemical high throughput screening assay to identify acti... 来源：The Scripps Research Institute Molecular Screening Center 靶标：caspase-3 preproprotein [Homo sapiens] External Id：PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule modulators of NR3A 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：SBCCG-A1015-NR3A-Primary-Assay

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SARS-CoV-2-IN-32英文别名

• 4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-nitophenyl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
• 4,4'-[(4-nitrophenyl)methylene]bis(3-methyl-1-phenyl-pyrazol-5-ol)
• 1H-Pyrazol-5-ol,4,4'-[(4-nitrophenyl)methylene]bis[3-methyl-1-phenyl
• 4,4'-((4-nitrophenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
• 5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(4-nitro-phenylmethanediyl)-bis-pyrazol-3-one