1-(2-dimethylaminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one

• 常用名: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one
• 英文名: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one
• CAS号: 80568-29-2
• 分子量: 456.34100
• 密度: 1.298g/cm3
• 沸点: 536.6ºC at 760 mmHg
• 分子式: C₁₈H₂₁IN₂O₂S
• 熔点: N/A
• 闪点: 278.3ºC

名称

• 英文名: 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylthioxanthen-9-one,hydroiodide

物理化学性质

• 密度: 1.298g/cm3
• 沸点: 536.6ºC at 760 mmHg
• 分子式: C₁₈H₂₁IN₂O₂S
• 分子量: 456.34100
• 闪点: 278.3ºC
• 精确质量: 456.03700
• PSA: 80.81000
• LogP: 4.47340
• InChIKey: WJOQXEPGKLCGCC-UHFFFAOYSA-N
• SMILES: Cc1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3sc12.I
• 折射率: 1.683

靶点实验

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实验名称：Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay 来源：24386 靶标：N/A External Id：Sarm1 TIR NADase inhibitors

实验名称：Cytotoxicity against HEK293 cells (CO-ADD:MA_007); CC50 by cell viability assay in DM... 来源：ChEMBL 靶标：HEK293 External Id：CHEMBL4296191

实验名称：Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI... 来源：ChEMBL 靶标：Acinetobacter baumannii External Id：CHEMBL4296188

实验名称：Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC... 来源：ChEMBL 靶标：Pseudomonas aeruginosa External Id：CHEMBL4296187

实验名称：Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); ... 来源：ChEMBL 靶标：Cryptococcus neoformans External Id：CHEMBL4296190

实验名称：Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB m... 来源：ChEMBL 靶标：Candida albicans External Id：CHEMBL4296189

实验名称：Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);... 来源：ChEMBL 靶标：Staphylococcus aureus External Id：CHEMBL4296184

实验名称：Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ... 来源：ChEMBL 靶标：Klebsiella pneumoniae External Id：CHEMBL4296186

实验名称：Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA... 来源：ChEMBL 靶标：Escherichia coli External Id：CHEMBL4296185

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英文别名

• 9H-Thioxanthen-9-one,monohydriodide
• 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylthioxanthen-9-one
• 1-<<2-(dimethylamino)ethyl>amino>-7-hydroxy-4-methylthixanthenone