2-(1-氧代-1,3-二氢-2H-异吲哚-2-基)-3-苯丙酸

• 常用名: 2-(1-氧代-1,3-二氢-2H-异吲哚-2-基)-3-苯丙酸
• 英文名: 2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
• CAS号: 96017-10-6
• 分子量: 281.30600
• 密度: 1.317g/cm3
• 沸点: 516.5ºC at 760mmHg
• 分子式: C₁₇H₁₅NO₃
• 熔点: 212-214ºC
• 闪点: 266.2ºC

名称

• 中文名: 2-(1-氧代-1,3-二氢-2H-异吲哚-2-基)-3-苯丙酸
• 英文名: 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
• 中文别名: 2,6-二氯-4-硝基苯乙腈

物理化学性质

• 密度: 1.317g/cm3
• 沸点: 516.5ºC at 760mmHg
• 熔点: 212-214ºC
• 分子式: C₁₇H₁₅NO₃
• 分子量: 281.30600
• 闪点: 266.2ºC
• 精确质量: 281.10500
• PSA: 57.61000
• LogP: 2.27620
• InChIKey: FZEBPJBRDFXKIH-UHFFFAOYSA-N
• SMILES: O=C(O)C(Cc1ccccc1)N1Cc2ccccc2C1=O
• 储存条件: 室温

安全信息

• 海关编码: 2918300090

海关

• 海关编码: 2918300090
• 中文概述: 2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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:30.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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：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

实验名称：Absorbance-based primary biochemical high throughput screening assay to identify acti... 来源：The Scripps Research Institute Molecular Screening Center 靶标：caspase-3 preproprotein [Homo sapiens] External Id：PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN

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英文别名

• 3-phenyl-2-(1-oxoisoindolin-2-yl)propionic acid
• 3-phenyl-2-(1'-oxo-isoindoline)propanoic acid
• 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
• N-1-(1-carboxy-2-phenylethyl)isoindolinone
• (2R/2S)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropanoic acid