1H-Indene-1,3(2H)-dione,2-[(dimethylamino)methylene]

• 常用名: 1H-Indene-1,3(2H)-dione,2-[(dimethylamino)methylene]
• 英文名: 1H-Indene-1,3(2H)-dione,2-[(dimethylamino)methylene]
• CAS号: 28752-91-2
• 分子量: 201.22100
• 密度: 1.319g/cm3
• 沸点: 324.7ºC at 760 mmHg
• 分子式: C₁₂H₁₁NO₂
• 熔点: N/A
• 闪点: 142.6ºC

名称

• 英文名: 2-(dimethylaminomethylidene)indene-1,3-dione

物理化学性质

• 密度: 1.319g/cm3
• 沸点: 324.7ºC at 760 mmHg
• 分子式: C₁₂H₁₁NO₂
• 分子量: 201.22100
• 闪点: 142.6ºC
• 精确质量: 201.07900
• PSA: 37.38000
• LogP: 1.51110
• InChIKey: MVUJXFMCAICFMX-UHFFFAOYSA-N
• SMILES: CN(C)C=C1C(=O)c2ccccc2C1=O
• 蒸汽压: 0.000242mmHg at 25°C
• 折射率: 1.684

毒性和生态

靶点实验

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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：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

• 2-dimethylaminomethylene-1,3-indandione
• 2-dimethylaminomethyleneindane-1,3-dione
• 2-Dimethylaminomethyliden-1,3-indandion
• Dimethylaminomethylene-2 indanedione-1,3 [French]
• COR 3761
• 2-Dimethylaminomethylen-1,3-indandion
• 2-[(dimethylamino)methylene]-1H-indene-1,3(2H)-dione
• 1H-indene-1,3(2H)-dione,2-[(dimethylamino)methylene]
• 1,3-Indandione,2-((dimethylamino)methylene)
• 2-dimethylaminomethylene-1,3-indendione