2,4-二氢-4-[4-[4-(4-甲氧基苯基)-1-哌嗪基]苯基]-2-(1-甲基丙基)-3H-1,2,4-三唑-3-酮

• 常用名: 2,4-二氢-4-[4-[4-(4-甲氧基苯基)-1-哌嗪基]苯基]-2-(1-甲基丙基)-3H-1,2,4-三唑-3-酮
• 英文名: UNII:148K9U451A
• CAS号: 252964-68-4
• 分子量: 407.509
• 密度: 1.2±0.1 g/cm3
• 沸点: 572.4±60.0 °C at 760 mmHg
• 分子式: C₂₃H₂₉N₅O₂
• 熔点: N/A
• 闪点: 300.0±32.9 °C

名称

• 中文名: 2,4-二氢-4-[4-[4-(4-甲氧基苯基)-1-哌嗪基]苯基]-2-(1-甲基丙基)-3H-1,2,4-三唑-3-酮
• 英文名: 2-butan-2-yl-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 572.4±60.0 °C at 760 mmHg
• 分子式: C₂₃H₂₉N₅O₂
• 分子量: 407.509
• 闪点: 300.0±32.9 °C
• 精确质量: 407.232117
• PSA: 55.53000
• LogP: 2.18
• InChIKey: IVIVGYTUQVJVPF-UHFFFAOYSA-N
• SMILES: CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.622

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：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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英文别名

• 2-(butan-2-yl)-4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
• 2-sec-Butyl-4-{4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
• (+/-)-2-(methylthio)-2-bornene
• 2-sec-Butyl-4-{4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-onato(2-)
• 2-sec-Butyl-4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
• MFCD02956607
• Bicyclo[2.2.1]hept-2-ene,1,7,7-trimethyl-2-(methylthio)-,(1R)
• 2,4,6-TRIMETHYLBENZYL CHLORIDE,WHITE LOW-MELTING SOLID
• UNII:148K9U451A
• (+/-)-2-(sec-butyl)-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one