ICT5040

• 常用名: ICT5040
• 英文名: ICT5040
• CAS号: 215655-21-3
• 分子量: 275.250
• 密度: 1.5±0.1 g/cm3
• 沸点: 343.5±52.0 °C at 760 mmHg
• 分子式: C₁₀H₈F₃N₃OS
• 熔点: N/A
• 闪点: 161.5±30.7 °C

ICT5040用途

ICT5040是一种小分子CXCR4拮抗剂(IC50=3.8μM)。ICT5040抑制CXCL12介导的增殖和迁移,并抑制U87胶质瘤细胞中CXCL12诱导的细胞内钙动员[1]。

ICT5040名称

• 英文名: 2-(methylthio)-5-[2-methyl-6-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole

ICT5040生物活性

• 描述: ICT5040是一种小分子CXCR4拮抗剂(IC50=3.8μM)。ICT5040抑制CXCL12介导的增殖和迁移,并抑制U87胶质瘤细胞中CXCL12诱导的细胞内钙动员[1]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> CXCR
  信号通路 >> 免疫及炎症 >> CXCR
• 靶点实验:

  CXCR4:3.8 μM (IC50)

• 体外研究: ICT5040(1-100μM；0-4天)剂量依赖性地抑制 第12条诱导的 1987年胶质瘤细胞的增殖和迁移[1]。 图5040在 1987年胶质瘤细胞中降低 第12条诱导的细胞内钙动员[1]。 细胞迁移测定[1]细胞系：U87胶质瘤细胞浓度：1μM、10μM、100μM；100 ng/mL CXCL12孵育时间：0、1、2、3和4天结果：第3天CXCL12诱导的U87细胞增殖和迁移减少。
• 参考文献:

  [1]. Vinader V, et al. Discovery and computer aided potency optimization of a novel class of small molecule CXCR4 antagonists. PLoS One. 2013 Oct 18;8(10):e78744.

ICT5040物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 343.5±52.0 °C at 760 mmHg
• 分子式: C₁₀H₈F₃N₃OS
• 分子量: 275.250
• 闪点: 161.5±30.7 °C
• 精确质量: 275.034027
• LogP: 3.75
• InChIKey: AOFNOJJLNOMAHQ-UHFFFAOYSA-N
• SMILES: CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.543

ICT5040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：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH 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：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

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：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

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ICT5040英文别名

• 2-(methylthio)-5-[2-methyl-6-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole
• 2-Methyl-3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridine
• 2-Methyl-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridine