6,11(5H)-吗吩烷啶二酮

• 常用名: 6,11(5H)-吗吩烷啶二酮
• 英文名: 5H-Dibenzo[b,e]azepine-6,11-dione
• CAS号: 1143-50-6
• 分子量: 223.227
• 密度: 1.3±0.1 g/cm3
• 沸点: 327.3±12.0 °C at 760 mmHg
• 分子式: C₁₄H₉NO₂
• 熔点: N/A
• 闪点: 131.3±19.7 °C

6,11(5H)-吗吩烷啶二酮名称

• 中文名: 5H-二苯并[b,e]氮杂卓-6,11-二酮
• 英文名: 5H-benzo[c][1]benzazepine-6,11-dione
• 中文别名: 6,11(5H)-吗吩烷啶二酮

6,11(5H)-吗吩烷啶二酮物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 327.3±12.0 °C at 760 mmHg
• 分子式: C₁₄H₉NO₂
• 分子量: 223.227
• 闪点: 131.3±19.7 °C
• 精确质量: 223.063324
• PSA: 49.93000
• LogP: 2.22
• InChIKey: USJALFVAJSYMSN-UHFFFAOYSA-N
• SMILES: O=c1[nH]c2ccccc2c(=O)c2ccccc12
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.637
• 储存条件: 2-8°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.3

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:6

  6.拓扑分子极性表面积46.2

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:339

  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

6,11(5H)-吗吩烷啶二酮安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2933990090

6,11(5H)-吗吩烷啶二酮海关

• 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%

6,11(5H)-吗吩烷啶二酮靶点实验

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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：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1100

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1101

实验名称：Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas... 来源：Broad Institute 靶标：N/A External Id：2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2

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 for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima... 来源：NCGC 靶标：apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7] External Id：AMA1100

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：abhydrolase domain-containing protein 4 isoform 1 [Mus musculus] External Id：ABHD4_INH_FP_1536_1X%INH PRUN

实验名称：High Throughput Screen to Identify Inhibitors Targeting HIV-1 Vif-dependent Degradati... 来源：Southern Research Institute 靶标：HIV-1 Vif External Id：HIV1-VIF_MS

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6,11(5H)-吗吩烷啶二酮英文别名

• 6,11-dioxo-5,11-dihydro-6H-dibenz<b,e>azepine
• 5H-Dibenzo[b,e]azepine-6,11-dione
• EINECS 214-539-6
• 5H-Dibenz[b,e]azepine-6,11-dione
• 5,6-Dihydro-6,11-dioxomorphanthridine
• 5,6-dihydro-11H-dibenzo<b,e>azepin-6,11-dione
• 1,11-Dihydro-6H-dibenzo<b,e>azepin-6,11-dione
• 5,6-dihydro-dibenzo<b,e>azepin-6,11-dione
• 5H-DIBENZO(B,E)AZEPINE-6,11-DIONE