ML406

• 常用名: ML406
• 英文名: ML406
• CAS号: 774589-47-8
• 分子量: 352.384
• 密度: 1.3±0.1 g/cm3
• 沸点: 596.0±50.0 °C at 760 mmHg
• 分子式: C₂₀H₂₀N₂O₄
• 熔点: N/A
• 闪点: 314.2±30.1 °C
• 符号: GHS09
• 信号词: Warning

ML406用途

ML406 是一种小分子探针,可通过抑制 MtbbioA (DAPA 合酶) 来发挥抗结核活性,IC50 为 30 nM。

ML406名称

• 中文名: 1-(4-(4-(苯并[d][1,3]二氧杂环戊烯-5-羰基)哌嗪-1-基)苯基)乙酮
• 英文名: 1-{4-[4-(1,3-Benzodioxol-5-ylcarbonyl)-1-piperazinyl]phenyl}ethanone

ML406生物活性

• 描述: ML406 是一种小分子探针,可通过抑制 MtbbioA (DAPA 合酶) 来发挥抗结核活性,IC50 为 30 nM。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 细菌
• 靶点实验:

  IC50 30 nM (BioA)[1]

• 体外研究: ML406抑制结核分枝杆菌(H37Rv)的生长抑制,IC50为3.2μM。BioA是一种参与结核分枝杆菌(Mtb)生物素生物合成的酶,可作为结核病(TB)药物开发的先导化合物[1]。
• 参考文献:

  [1]. Dominick Casalena, et al. Discovery of small molecule probe that shows anti-tubercular activity via MtbbioA (DAPA synthase) enzyme inhibition. January 16, 2015.

ML406物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 596.0±50.0 °C at 760 mmHg
• 分子式: C₂₀H₂₀N₂O₄
• 分子量: 352.384
• 闪点: 314.2±30.1 °C
• 精确质量: 352.142303
• LogP: 0.82
• InChIKey: DMJGPASMZSNEAZ-UHFFFAOYSA-N
• SMILES: CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1
• 蒸汽压: 0.0±1.7 mmHg at 25°C
• 折射率: 1.621
• 储存条件: 2-8°C， 惰性气体

ML406安全信息

• 符号: GHS09
• 信号词: Warning
• 危害声明: H410
• 警示性声明: P273-P391-P501
• 危险品运输编码: UN 3077 9 / PGIII

ML406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：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

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：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

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ML406英文别名

• 1-{4-[4-(1,3-Benzodioxol-5-ylcarbonyl)-1-piperazinyl]phenyl}ethanone
• 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
• MFCD06004413