1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone

• 常用名: 1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
• 英文名: 1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
• CAS号: 1500-92-1
• 分子量: 179.21600
• 密度: 1.097g/cm3
• 沸点: 346.8ºC at 760mmHg
• 分子式: C₁₀H₁₃NO₂
• 熔点: N/A
• 闪点: 167.6ºC

名称

• 英文名: 1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone

物理化学性质

• 密度: 1.097g/cm3
• 沸点: 346.8ºC at 760mmHg
• 分子式: C₁₀H₁₃NO₂
• 分子量: 179.21600
• 闪点: 167.6ºC
• 精确质量: 179.09500
• PSA: 49.93000
• LogP: 2.03670
• InChIKey: QQDLJFDTROVUDP-UHFFFAOYSA-N
• SMILES: CC(=O)c1[nH]c(C)c(C(C)=O)c1C
• 蒸汽压: 5.62E-05mmHg at 25°C
• 折射率: 1.529

毒性和生态

安全信息

• 海关编码: 2933990090

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%

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：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

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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英文别名

• 1-(5-Acetyl-2,4-dimethyl-1H-pyrrol-3-yl)-ethanone
• 2,4-Diacetyl-3,5-dimethyl-pyrrol
• Pyrrole,2,4-diacetyl-3,5-dimethyl
• 1,1'-(3,5-dimethyl-pyrrole-2,4-diyl)-bis-ethanone
• 2,4-diacetyl-3,5-dimethyl-pyrrole
• 1,1'-(3,5-dimethyl-1H-pyrrole-2,4-diyl)diethanone
• 2,4-diacetyl-3,5-dimethyl-1H-pyrrole