2-[[9-(1-甲基乙基)-6-[(苯基甲基)氨基]-9H-嘌呤-2-基]氨基]-1-丁醇

• 常用名: 2-[[9-(1-甲基乙基)-6-[(苯基甲基)氨基]-9H-嘌呤-2-基]氨基]-1-丁醇
• 英文名: SELICICLIB
• CAS号: 186692-44-4
• 分子量: 354.44900
• 密度: 1.25
• 沸点: 577.5ºC at 760 mmHg
• 分子式: C₁₉H₂₆N₆O
• 熔点: N/A
• 闪点: 303.1ºC

名称

• 中文名: 2-[[9-(1-甲基乙基)-6-[(苯基甲基)氨基]-9H-嘌呤-2-基]氨基]-1-丁醇
• 英文名: (2S)-2-{[6-(Benzylamino)-9-isopropyl-9H-purin-2-yl]amino}-1-butan ol
• 中文别名: 2-[[9-(1-甲基乙基)-6-[(苯甲基)氨基]-9H-嘌呤-2-基]氨基]-1-丁醇

物理化学性质

• 密度: 1.25
• 沸点: 577.5ºC at 760 mmHg
• 分子式: C₁₉H₂₆N₆O
• 分子量: 354.44900
• 闪点: 303.1ºC
• 精确质量: 354.21700
• PSA: 91.12000
• LogP: 2.69700
• InChIKey: BTIHMVBBUGXLCJ-UHFFFAOYSA-N
• SMILES: CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
• 蒸汽压: 3.52E-14mmHg at 25°C
• 折射率: 1.643

靶点实验

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实验名称：qHTS to identify inhibitors of the New Delhi Metallo-beta-lactamase (NDM): assay vali... 来源：NCGC External Id：adst_MBL_Abs_LOPAC_o1

实验名称：Small-molecule inhibitors of ST2 (IL1RL1) 来源：20881 靶标：interleukin-1 receptor-like 1 isoform [homo sapiens] External Id：ST2_IL33_Inhibitors_Primary_Screening_77700

实验名称：Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1315

实验名称：qHTS assay for measurement of the activity of small molecule inhibitors on Zika virus... 来源：NCGC 靶标：N/A External Id：ZIK097

实验名称：Inhibitory activity against Cyclin-dependent kinase 5 来源：ChEMBL 靶标：Cyclin-dependent kinase 5 External Id：CHEMBL665006

实验名称：In Vitro CDK9/CyclinT Assay from US Patent US10294218: "4,6-disubstituted aminopyrimi... 来源：BindingDB 靶标：N/A External Id：BindingDB_2999_1

实验名称：96-well format Chlamydomonas reinhardtii Algae Gravitaxis Assay to measure the differ... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：N/A External Id：MH081217, Chlamydomonas reinhardtii Gravitaxis Assay to Identify Small Molecule Inhibitors of Cilia.

实验名称：The logarithmic molar concentration inhibiting 50% net cell growth was measured on HC... 来源：ChEMBL 靶标：HCT-116 External Id：CHEMBL858677

实验名称：The logarithmic molar concentration inhibiting 50% net cell growth was measured on HC... 来源：ChEMBL 靶标：HCT-116 External Id：CHEMBL689627

实验名称：In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Depen... 来源：ChEMBL 靶标：Cyclin-dependent kinase 1 External Id：CHEMBL662511

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英文别名

• 5-formylpentyl benzoate
• 2-(1-ethyl-2-hydroxyethylamino)-N6-(benzyl)-9-isopropyladenine
• Hexanal,6-(benzoyloxy)
• 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
• 6-(benzylamino)-2-[(1-hydroxymethylpropyl)amino]-9-isopropylpurine
• (+/-)-Roscovitine
• RS-roscovitine
• 6-(benzoyloxy)hexanal