N-[4-氟-3-(三氟甲基)苯基]-N'-[5-(4-吡啶基)-1,3,4-噻二唑-2-基]脲

• 常用名: N-[4-氟-3-(三氟甲基)苯基]-N'-[5-(4-吡啶基)-1,3,4-噻二唑-2-基]脲
• 英文名: ML216
• CAS号: 1430213-30-1
• 分子量: 383.323
• 密度: 1.6±0.1 g/cm3
• 沸点: N/A
• 分子式: C₁₅H₉F₄N₅OS
• 熔点: N/A
• 闪点: N/A

用途

ML216(CID-49852229)是一BLM解螺旋酶有效抑制剂,对BLM full length和BLM636–1298的IC50值分别为3.0uM和0.97uM。

名称

• 中文名: N-[4-氟-3-(三氟甲基)苯基]-N'-[5-(4-吡啶基)-1,3,4-噻二唑-2-基]脲
• 英文名: 1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[5-(4-pyridinyl)-1,3,4-t hiadiazol-2-yl]ure

生物活性

• 描述: ML216(CID-49852229)是一BLM解螺旋酶有效抑制剂,对BLM full length和BLM636–1298的IC50值分别为3.0uM和0.97uM。
• 相关类别:
  信号通路 >> 细胞周期/DNA损伤 >> DNA/RNA合成
  研究领域 >> 癌症
• 参考文献:

  [1]. Nguyen GH, et al. A small molecule inhibitor of the BLM helicase modulates chromosome stability in human cells. Chem Biol. 2013 Jan 24;20(1):55-62.

物理化学性质

• 密度: 1.6±0.1 g/cm3
• 分子式: C₁₅H₉F₄N₅OS
• 分子量: 383.323
• 精确质量: 383.046387
• PSA: 114.76000
• LogP: 4.11
• InChIKey: WMCOYUSJXXCHFH-UHFFFAOYSA-N
• SMILES: O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1nnc(-c2ccncc2)s1
• 折射率: 1.641
• 储存条件: 2-8℃

靶点实验

查看更多实验

实验名称：NCATS Kinetic Aqueous Solubility Profiling 来源：NCGC 靶标：N/A External Id：ADME-solubility1

实验名称：Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro... 来源：NCGC 靶标：N/A External Id：SERCaMPGLuc-p1-antagonist

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

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：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：Primary qHTS for Identification of Small Molecule Activators of Huntingtin-Antisense ... 来源：NCGC External Id：huntington-HTTAS8-p1-FF-overN

实验名称：Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry 来源：NCGC 靶标：N/A External Id：TRND-SARS-CoV-2-cytotox-48hr

实验名称：Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry 来源：NCGC External Id：TRND-SARS-CoV-2-PP

实验名称：Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th... 来源：NCGC 靶标：N/A External Id：s-my-keats_OPM1-m4-1

实验名称：Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th... 来源：NCGC 靶标：N/A External Id：s-my-OC1MY5-m4-1

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英文别名

• 1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]urea
• ML216