6-(1H-吡唑-1-基)烟酸

• 常用名: 6-(1H-吡唑-1-基)烟酸
• 英文名: 6-(1H-PYRAZOL-1-YL)NICOTINIC ACID
• CAS号: 253315-22-9
• 分子量: 189.17100
• 密度: 1.39 g/cm3
• 沸点: 394.6ºC at 760 mmHg
• 分子式: C₉H₇N₃O₂
• 熔点: N/A
• 闪点: N/A

6-(1H-吡唑-1-基)烟酸名称

• 中文名: 6-(1H-吡唑-1-基)烟酸
• 英文名: 6-pyrazol-1-ylpyridine-3-carboxylic acid
• 中文别名: 6-(1H-吡唑-1-基)吡啶-3-甲酸

6-(1H-吡唑-1-基)烟酸物理化学性质

• 密度: 1.39 g/cm3
• 沸点: 394.6ºC at 760 mmHg
• 分子式: C₉H₇N₃O₂
• 分子量: 189.17100
• 精确质量: 189.05400
• PSA: 68.01000
• LogP: 0.96550
• InChIKey: QWFKXYLAKWFQLF-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(-n2cccn2)nc1
• 外观性状: 白色到灰白色 粉末 或 固体 或 块状
• 蒸汽压: 6.19E-07mmHg at 25°C
• 折射率: 1.673
• 储存条件: 2~8°C
• 分子结构:

  1、 摩尔折射率：50.69

  2、 摩尔体积（cm³/mol）：135.2

  3、 等张比容（90.2K）：377.2

  4、 表面张力（dyne/cm）：60.5

  5、 极化率（10-24cm3）：20.09

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:1

  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:无

  6.拓扑分子极性表面积68

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:222

  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

6-(1H-吡唑-1-基)烟酸安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2933990090

6-(1H-吡唑-1-基)烟酸海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 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: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-(1H-吡唑-1-基)烟酸靶点实验

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：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：qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen 来源：NCGC External Id：tdp43-p2-repeat

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

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6-(1H-吡唑-1-基)烟酸英文别名

• pyrazolylnicotinicacid
• 6-pyrazole-1-yl-nicotinic acid
• 6-pyrazolylpyridine-3-carboxylic acid
• 6-pyrazol-1-ylnicotinic acid
• MFCD00140749