2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸

• 常用名: 2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸
• 英文名: 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo
• CAS号: 25947-11-9
• 分子量: 204.18200
• 密度: 1.48g/cm3
• 沸点: N/A
• 分子式: C₁₀H₈N₂O₃
• 熔点: 220 °C
• 闪点: N/A

2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸名称

• 中文名: 2-(4-氧-3,4-二氢邻苯二甲秦)乙酸
• 英文名: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid
• 中文别名: (4-氧代-3,4-二氢二氮杂萘-1-基)乙酸 | 2-(4-羰基-3,4-二氢酞嗪-1-基)乙酸

2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸物理化学性质

• 密度: 1.48g/cm3
• 熔点: 220 °C
• 分子式: C₁₀H₈N₂O₃
• 分子量: 204.18200
• 精确质量: 204.05300
• PSA: 83.05000
• LogP: 0.55020
• InChIKey: ZEDQLIHBPGNGEC-UHFFFAOYSA-N
• SMILES: O=C(O)Cc1n[nH]c(=O)c2ccccc12
• 折射率: 1.681
• 储存条件: 2-8°C，干燥，密封
• 分子结构:

  1、 摩尔折射率：52.19

  2、 摩尔体积（cm³/mol）：137.8

  3、 等张比容（90.2K）：387.3

  4、 表面张力（dyne/cm）：62.3

  5、 极化率（10-24cm3）：20.69

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:2

  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:2

  6.拓扑分子极性表面积78.8

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:325

  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（760 mmHg,ºC）：220

2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸MSDS

2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸MSDS英文版

2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸安全信息

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2933990090

2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸海关

• 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%

2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸靶点实验

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：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

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

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2-(4-氧代-3,4-二氢酞嗪-1-基)乙酸英文别名

• 1-Carboxymethyl-phthalazon-(4)
• 3,4-Dihydro-4-oxo-1-phthalazineacetic acid
• 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid
• MFCD00085017
• 4-carboxymethyl-1(2H)-phthalazinone
• 3,4-dihydro-4-oxo-phthalazineacetic acid
• 2-(3,4-DIHYDRO-2 H-QUINOLINE-1-CARBONYL)-CYCLOHEXANECARBOXYLIC ACID
• (4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid
• (4-oxo-3,4-dihydro-1-phthalazinyl)acetic acid
• 1,2-Dihydro-1-oxophthalazin-4-ylacetic acid