2-Naphthalenesulfonicacid, 7-[(4-aminobenzoyl)amino]-4-hydroxy

• 常用名: 2-Naphthalenesulfonicacid, 7-[(4-aminobenzoyl)amino]-4-hydroxy
• 英文名: 2-Naphthalenesulfonicacid, 7-[(4-aminobenzoyl)amino]-4-hydroxy
• CAS号: 119-77-7
• 分子量: 358.36800
• 密度: 1.586g/cm3
• 沸点: N/A
• 分子式: C₁₇H₁₄N₂O₅S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: 7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid

物理化学性质

• 密度: 1.586g/cm3
• 分子式: C₁₇H₁₄N₂O₅S
• 分子量: 358.36800
• 精确质量: 358.06200
• PSA: 138.10000
• LogP: 4.36160
• InChIKey: BRIUJVAXLMLKPY-UHFFFAOYSA-N
• SMILES: Nc1ccc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1
• 折射率: 1.759
• 分子结构:

  1、 摩尔折射率：92.91

  2、 摩尔体积（cm³/mol）：225.9

  3、 等张比容（90.2K）：693.8

  4、 表面张力（dyne/cm）：89.0

  5、 极化率（10-24cm3）：36.83

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.7

  2.氢键供体数量:4

  3.氢键受体数量:6

  4.可旋转化学键数量:3

  5.互变异构体数量:69

  6.拓扑分子极性表面积138

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:582

  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

安全信息

• 海关编码: 2924299090

海关

• 海关编码: 2924299090
• 中文概述: 2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
• 申报要素: 品名, 成分含量, 用途, 包装
• Summary: 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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：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：Inhibition of ribonuclease H activity of HIV1 reverse transcriptase using as poly(dC)... 来源：ChEMBL 靶标：Reverse transcriptase/RNaseH External Id：CHEMBL1959154

实验名称：Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency virus 1... 来源：ChEMBL 靶标：Reverse transcriptase/RNaseH External Id：CHEMBL1959233

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：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

实验名称：Fluorescence polarization-based biochemical high throughput confirmation assay to ide... 来源：The Scripps Research Institute Molecular Screening Center 靶标：abhydrolase domain-containing protein 4 isoform 1 [Mus musculus] External Id：ABHD4_INH_FP_1536_3X%INH CRUN

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

共101条，当前第1页，共11页

1

2

3

4

5

英文别名

• 1-hydroxy-6-(4'-aminobenzoyl)-aminonaphthalene-3-sulphonic acid
• p-aminobenzoyl-H-acid
• 2-Naphthalenesulfonic acid,7-(p-aminobenzamido)-4-hydroxy
• p-Aminobenzoyl J Acid
• EINECS 204-350-7
• 2-Naphthalenesulfonic acid,7-[(4-aminobenzoyl)amino]-4-hydroxy
• 7-(p-Aminobenzamido)-4-hydroxy-2-naphthalenesulfonic acid
• 7-(4-amino-benzoylamino)-4-hydroxy-naphthalene-2-sulfonic acid
• p-Aminobenzoyl I Acid
• PAB J Acid
• 6-(4'-aminobenzoyl)amino-3-sulfonic acid-1-naphthol
• 6-(4-Amino-benzamino)-naphthol-(1)-sulfonsaeure-(3)
• 7-(4-Amino-benzoylamino)-4-hydroxy-naphthalin-2-sulfonsaeure
• 7-(4-aminobenzamido)-4-hydroxynaphthalene-2-sulfonic acid