冰素

• 常用名: 冰素
• 英文名: IcilinAG-3-5
• CAS号: 36945-98-9
• 分子量: 311.292
• 密度: 1.4±0.1 g/cm3
• 沸点: 594.8±50.0 °C at 760 mmHg
• 分子式: C₁₆H₁₃N₃O₄
• 熔点: 200-208ºC
• 闪点: 313.5±30.1 °C

冰素用途

Icilin是TRPM8离子通道激动剂。

冰素名称

• 中文名: 1-(2-羟基苯基)-4-(3-硝基苯基)-1,2,3,6-四氢嘧啶-2-酮
• 英文名: 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one

冰素生物活性

• 描述: Icilin是TRPM8离子通道激动剂。
• 相关类别:
  信号通路 >> 跨膜转运 >> TRP频道
  研究领域 >> 癌症
• 参考文献:

  [1]. Lee S, et al. Icilin inhibits E2F1-mediated cell cycle regulatory programs in prostate cancer. Biochem Biophys Res Commun. 2013 Nov 29;441(4):1005-10.

  [2]. Andersson DA, et al. TRPM8 activation by menthol, icilin, and cold is differentially modulated by intracellular pH. J Neurosci. 2004 Jun 9;24(23):5364-9.

  [3]. Kim J, et al. Icilin-evoked behavioral stimulation is attenuated by alpha-adrenoceptor activation. Brain Res. 2011 Apr 12;1384:110-7.

  [4]. Kim SH, et al. Icilin induces G1 arrest through activating JNK and p38 kinase in a TRPM8-independent manner. Biochem Biophys Res Commun. 2011 Mar 4;406(1):30-5.

冰素物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 594.8±50.0 °C at 760 mmHg
• 熔点: 200-208ºC
• 分子式: C₁₆H₁₃N₃O₄
• 分子量: 311.292
• 闪点: 313.5±30.1 °C
• 精确质量: 311.090607
• PSA: 98.39000
• LogP: 2.73
• InChIKey: RCEFMOGVOYEGJN-UHFFFAOYSA-N
• SMILES: O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O
• 外观性状: 淡黄色固体
• 蒸汽压: 0.0±1.7 mmHg at 25°C
• 折射率: 1.672
• 储存条件: -20℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.2

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:6

  6.拓扑分子极性表面积98.4

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:502

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

冰素毒性和生态

冰素毒理学数据:

1、急性毒性：大鼠腹腔LD50：>1500 mg/kg；

冰素安全信息

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 26-36
• 海关编码: 2933599090

冰素海关

• 海关编码: 2933599090
• 中文概述: 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

冰素靶点实验

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：Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay 来源：ChEMBL 靶标：N/A External Id：CHEMBL1266185

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：Tocris HTS for Inhibitors of Aerobactin Synthetase lucA 来源：23265 External Id：IucA Pilot Assay Tocris Library

实验名称：Mouse TRPA1 (Transient Receptor Potential channels) 来源：IUPHAR-DB 靶标：TRPA1 (Transient Receptor Potential channels) [Mus musculus] External Id：485_Mouse

实验名称：Dicer-mediated maturation of pre-microRNA 来源：Center for Chemical Genomics, University of Michigan 靶标：N/A External Id：TargetID_659_CEMA

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

实验名称：MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint... 来源：Broad Institute 靶标：N/A External Id：2084-01_Activator_SinglePoint_HTS_Activity

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冰素英文别名

• MFCD01689072
• Icilin
• 3-(2-Hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydro-2(1H)-pyrimidinone
• AG-3-5
• 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one