(6-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)

• 常用名: (6-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)
• 英文名: 6-Benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
• CAS号: 18184-75-3
• 分子量: 238.241
• 密度: 1.4±0.1 g/cm3
• 沸点: 418.9±28.0 °C at 760 mmHg
• 分子式: C₁₄H₁₀N₂O₂
• 熔点: 154-156ºC
• 闪点: 207.2±24.0 °C

(6-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)名称

• 中文名: 6-苄基-5H-吡咯并[3,4-b]吡啶-5,7(6H)-二酮
• 英文名: 6-benzylpyrrolo[3,4-b]pyridine-5,7-dione
• 中文别名: 6-苄基吡咯并[3,4-b]吡啶-5,7-二酮 | 6-苄基吡咯并[3,4-B]吡啶-5,7-二酮 | (6-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮) | N-苄基-2,3-吡啶二甲酰亚胺 | 6-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮

(6-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 418.9±28.0 °C at 760 mmHg
• 熔点: 154-156ºC
• 分子式: C₁₄H₁₀N₂O₂
• 分子量: 238.241
• 闪点: 207.2±24.0 °C
• 精确质量: 238.074234
• PSA: 50.27000
• LogP: 1.84
• InChIKey: DWUBVULEMQOCPO-UHFFFAOYSA-N
• SMILES: O=C1c2cccnc2C(=O)N1Cc1ccccc1
• 外观性状: 灰白色固体
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.668
• 储存条件: Refrigerator
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.7

  2.氢键供体数量:0

  3.氢键受体数量:3

  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50.3

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:350

  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-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)安全信息

• 海关编码: 2933990090

(6-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)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-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)靶点实验

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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：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-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-苄基-6H-吡咯[3,4-B]吡啶-5,7-二酮)英文别名

• N-benzyl-2,3-pyridinedicarboximide
• 6-Benzyl-5,7-Dihydro-5,7-Dioxopyrrolo[3,4-b]Pyridin
• 6-benzyl-6H-pyrrolo[3,4-b]pyridine-5,7-dione
• N-Benzylchinolinimid
• 6-benzyl-pyrrolo[3,4-b]pyridine-5,7-dione
• 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine
• 6-Benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione