4-(4-甲基-1-哌嗪基)-7-硝基-2,1,3-苯并二唑 3-氧化物

• 常用名: 4-(4-甲基-1-哌嗪基)-7-硝基-2,1,3-苯并二唑 3-氧化物
• 英文名: NSC 207895
• CAS号: 58131-57-0
• 分子量: 279.252
• 密度: 1.6±0.1 g/cm3
• 沸点: 487.6±55.0 °C at 760 mmHg
• 分子式: C₁₁H₁₃N₅O₄
• 熔点: N/A
• 闪点: 248.7±31.5 °C

用途

NSC-207895 (XI-006) 是一种DNA 破坏剂,是一种抗肿瘤化合物和 p53 的激活剂。

名称

• 中文名: 4-(4-甲基-1-哌嗪基)-7-硝基-2,1,3-苯并二唑 3-氧化物
• 英文名: 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
• 中文别名: 可可碱

生物活性

• 描述: NSC-207895 (XI-006) 是一种DNA 破坏剂,是一种抗肿瘤化合物和 p53 的激活剂。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 细胞凋亡 >> MDM-2/p53
• 体外研究: NSC-207895(0.5μM,30min),MDM2抑制剂,上调p53蛋白水平[2]。MDMX抑制剂NSC-207895在mRNA和蛋白质水平下调AML细胞中MDMX的表达[3]。Western印迹分析[2]细胞系：RAW 264.7细胞。浓度：0.5μM,孵育时间：30min(用LPS(100ng/ml)刺激6h)。结果：p53蛋白水平上调。
• 参考文献:

  [1]. Laura Kapitzky, et al. Cross-species chemogenomic profiling reveals evolutionarily conserved drug mode of action. Mol Syst Biol. 2010 Dec 21;6:451.

  [2]. Erdenezaya Odkhuu, et al. Lipopolysaccharide downregulates the expression of p53 through activation of MDM2 and enhances activation of nuclear factor-kappa B. Immunobiology. 2015 Jan;220(1):136-41.

  [3]. Luis A Carvajal, et al. Dual inhibition of MDMX and MDM2 as a therapeutic strategy in leukemia. Sci Transl Med. 2018 Apr 11;10(436):eaao3003.

物理化学性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 487.6±55.0 °C at 760 mmHg
• 分子式: C₁₁H₁₃N₅O₄
• 分子量: 279.252
• 闪点: 248.7±31.5 °C
• 精确质量: 279.096741
• PSA: 103.79000
• LogP: 1.46
• InChIKey: MWFZDJLPWDCQIL-UHFFFAOYSA-N
• SMILES: CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1
• 外观性状: 粉末
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.738
• 储存条件: -20℃

毒性和生态

靶点实验

查看更多实验

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

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：Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);... 来源：ChEMBL 靶标：Staphylococcus aureus External Id：CHEMBL4296184

实验名称：Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ... 来源：ChEMBL 靶标：Klebsiella pneumoniae External Id：CHEMBL4296186

实验名称：Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA... 来源：ChEMBL 靶标：Escherichia coli External Id：CHEMBL4296185

实验名称：Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Lum... 来源：The Scripps Research Institute Molecular Screening Center 靶标：transactivating tegument protein VP16 [Human herpesvirus 1] External Id：VP16_INH_LUMI_1536_3X%INH CSRUN for SRC1

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

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-KMS_34-m4-1

共242条，当前第1页，共25页

1

2

3

4

5

英文别名

• 7-(4-Methyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide
• Benzofurazan,4-(4-methyl-1-piperazinyl)-7-nitro-,3-oxide
• 7-(4-Methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazole 1-oxide
• B2368
• 2,1,3-Benzoxadiazole, 7-(4-methyl-1-piperazinyl)-4-nitro-, 1-oxide
• 7-(4-Methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole 1-oxide