2-((2-氯苄基)硫基)-5-(吡啶-4-基)-1,3,4-恶二唑

• 常用名: 2-((2-氯苄基)硫基)-5-(吡啶-4-基)-1,3,4-恶二唑
• 英文名: GSK3-IN-1
• CAS号: 478482-74-5
• 分子量: 303.767
• 密度: 1.43±0.1 g/cm3(Predicted)
• 沸点: 492.2±55.0 °C(Predicted)
• 分子式: C₁₄H₁₀ClN₃OS
• 熔点: N/A
• 闪点: 251.5±31.5 °C

用途

GSK3-IN-1(化合物11)是一种GSK-3抑制剂,其IC50值为12μM。GSK3-IN-1可用于糖尿病研究[1]。

名称

• 中文名: 2-((2-氯苄基)硫基)-5-(吡啶-4-基)-1,3,4-恶二唑
• 英文名: 2-chlorobenzyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide

生物活性

• 描述: GSK3-IN-1(化合物11)是一种GSK-3抑制剂,其IC50值为12μM。GSK3-IN-1可用于糖尿病研究[1]。
• 相关类别:
  信号通路 >> 干细胞及 Wnt 通路 >> GSK-3
  研究领域 >> 代谢疾病
  信号通路 >> PI3K/Akt/mTOR 信号通路 >> GSK-3
• 靶点实验:

  GSK-3[1]

• 参考文献:

  [1]. Lars Naerum, et al. Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors. Bioorg Med Chem Lett. 2002 Jun 3;12(11):1525-8.

物理化学性质

• 密度: 1.43±0.1 g/cm3(Predicted)
• 沸点: 492.2±55.0 °C(Predicted)
• 分子式: C₁₄H₁₀ClN₃OS
• 分子量: 303.767
• 闪点: 251.5±31.5 °C
• 精确质量: 303.023315
• LogP: 4.10
• InChIKey: UMPGWHXDJJYISZ-UHFFFAOYSA-N
• SMILES: Clc1ccccc1CSc1nnc(-c2ccncc2)o1
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.673
• 储存条件: 2-8°C， 干燥

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：Luminescence Cell-Free Homogeneous Counter Screen to Identify Inhibitors of ADP-glo R... 来源：Broad Institute 靶标：N/A External Id：2046-03_INHIBITORS_DOSE-TITRATION_MLPCN-CHERRYPICK

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：Luminescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of Glycogen Syn... 来源：Broad Institute 靶标：glycogen synthase kinase 3 beta isoform 1 [Homo sapiens] External Id：2046-02_INHIBITORS_DOSE-TITRATION_MLPCN-CHERRYPICK

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

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英文别名

• MFCD04031734
• 4-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine