2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione

• 常用名: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
• 英文名: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
• CAS号: 19419-24-0
• 分子量: 398.49200
• 密度: 1.134g/cm3
• 沸点: 568ºC at 760 mmHg
• 分子式: C₂₄H₃₀O₅
• 熔点: N/A
• 闪点: 245.1ºC

名称

• 英文名: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

物理化学性质

• 密度: 1.134g/cm3
• 沸点: 568ºC at 760 mmHg
• 分子式: C₂₄H₃₀O₅
• 分子量: 398.49200
• 闪点: 245.1ºC
• 精确质量: 398.20900
• PSA: 77.51000
• LogP: 3.92760
• InChIKey: YGUOOSFLZXPOAS-UHFFFAOYSA-N
• SMILES: COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1
• 蒸汽压: 6.45E-13mmHg at 25°C
• 折射率: 1.528

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：Inhibition Assay from Article 10.1080/14756360701408754: "Mild and efficient synthesi... 来源：BindingDB 靶标：N/A External Id：BindingDB_5394_1

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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英文别名

• 2-(p-methoxyphenyl)methylenebis(5,5-dimethyl-1,3-cyclohexanedione)
• 4-methoxybenzylidene bisdimedone
• 5,5,5',5'-Tetramethyl-2,2'-(4-methoxy-benzyliden)-bis-cyclohexan-1,3-dion
• 5,5,5',5'-tetramethyl-2,2'-(4-methoxy-benzylidene)-bis-cyclohexane-1,3-dione
• Tetraketone,8
• 2,2'-(5,5-dimethyl-4''-methoxyphenyl)methylene-bis(cyclohexane-1,3-dione)
• 2,2'-(4''-methoxyphenyl)methylene-bis(cyclohexane-1,3-dione)