4-(4-甲基哌嗪-1-磺酰)苯胺

• 常用名: 4-(4-甲基哌嗪-1-磺酰)苯胺
• 英文名: 4-[(4-Methylpiperazine-1-)sulfonyl]aniline
• CAS号: 21623-68-7
• 分子量: 255.33700
• 密度: 1.288g/cm3
• 沸点: 424.1ºC at 760mmHg
• 分子式: C₁₁H₁₇N₃O₂S
• 熔点: 228-229°C
• 闪点: 210.3ºC

4-(4-甲基哌嗪-1-磺酰)苯胺名称

• 中文名: 4-(4-甲基哌嗪-1-磺酰)苯胺
• 英文名: 4-[(4-Methyl-1-piperazinyl)sulfonyl]aniline
• 中文别名: 4-(4-甲基-哌嗪-1-磺酰基)苯胺

4-(4-甲基哌嗪-1-磺酰)苯胺物理化学性质

• 密度: 1.288g/cm3
• 沸点: 424.1ºC at 760mmHg
• 熔点: 228-229°C
• 分子式: C₁₁H₁₇N₃O₂S
• 分子量: 255.33700
• 闪点: 210.3ºC
• 精确质量: 255.10400
• PSA: 75.02000
• LogP: 1.74270
• InChIKey: YEKKOBZSGMPECJ-UHFFFAOYSA-N
• SMILES: CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
• 蒸汽压: 2.12E-07mmHg at 25°C
• 储存条件: 2-8°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.2

  2.氢键供体数量:1

  3.氢键受体数量:5

  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75

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:336

  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

• 更多:

  1. 熔点（ºC）：228~229

4-(4-甲基哌嗪-1-磺酰)苯胺安全信息

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2935009090

4-(4-甲基哌嗪-1-磺酰)苯胺海关

• 海关编码: 2935009090
• 中文概述: 2935009090 其他磺（酰）胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

4-(4-甲基哌嗪-1-磺酰)苯胺靶点实验

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：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

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4-(4-甲基哌嗪-1-磺酰)苯胺英文别名

• MFCD03050283
• 4-(4-methylpiperazin-1-yl)sulfonylaniline
• 4-(4-Methyl-piperazine-1-sulfonyl)-phenylamine
• 4-[(4-Methylpiperazine-1-)sulfonyl]aniline