2-甲硫基-4-氨基-5-嘧啶甲酸乙酯

• 常用名: 2-甲硫基-4-氨基-5-嘧啶甲酸乙酯
• 英文名: Ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate
• CAS号: 776-53-4
• 分子量: 213.25700
• 密度: 1.31 g/cm3
• 沸点: 370.3ºC at 760 mmHg
• 分子式: C₈H₁₁N₃O₂S
• 熔点: N/A
• 闪点: N/A

2-甲硫基-4-氨基-5-嘧啶甲酸乙酯名称

• 中文名: 2-甲硫基-4-氨基嘧啶-5-羧酸乙酯
• 英文名: Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate
• 中文别名: 嘧啶-5-甲酸 4-氨基-2-(甲基硫基)-,乙酯 | 2-(甲硫基)-4-氨基嘧啶-5-甲酸乙酯 | 4-氨基-2-甲硫基-5-嘧啶甲酸乙酯 | 2-甲基巯基-4-氨基嘧啶-5-甲酸乙酯 | 2-甲基巯基-4-氨基嘧啶-5-甲酸乙酯 | 2-甲基巯基-4-氨基嘧啶-5-羧酸乙酯 | 2-甲硫基-4-氨基-5-嘧啶甲酸乙酯

2-甲硫基-4-氨基-5-嘧啶甲酸乙酯物理化学性质

• 密度: 1.31 g/cm3
• 沸点: 370.3ºC at 760 mmHg
• 分子式: C₈H₁₁N₃O₂S
• 分子量: 213.25700
• 精确质量: 213.05700
• PSA: 103.40000
• LogP: 1.53860
• InChIKey: QINRQIZOBCQKAZ-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cnc(SC)nc1N
• 折射率: 1.585
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:1

  3.氢键受体数量:6

  4.可旋转化学键数量:4

  5.互变异构体数量:5

  6.拓扑分子极性表面积103

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:203

  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

2-甲硫基-4-氨基-5-嘧啶甲酸乙酯安全信息

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 43
• 安全声明 (欧洲): 36/37-24/25
• 海关编码: 2933599090

2-甲硫基-4-氨基-5-嘧啶甲酸乙酯海关

• 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%

2-甲硫基-4-氨基-5-嘧啶甲酸乙酯靶点实验

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：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

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：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

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2-甲硫基-4-氨基-5-嘧啶甲酸乙酯英文别名

• ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
• Ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate