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2-(5-benzylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

更新时间:2025-08-23 23:01:24

2-(5-benzylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol结构式
2-(5-benzylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol结构式
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常用名 2-(5-benzylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 英文名 2-(5-benzylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS号 16754-85-1 分子量 373.42600
密度 1.54g/cm3 沸点 674ºC at 760 mmHg
分子式 C18H19N3O4S 熔点 N/A
MSDS N/A 闪点 361.4ºC

 名称

英文名 2-(4-benzylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
英文别名 更多

 物理化学性质

密度 1.54g/cm3
沸点 674ºC at 760 mmHg
分子式 C18H19N3O4S
分子量 373.42600
闪点 361.4ºC
精确质量 373.11000
PSA 125.93000
LogP 1.33510
InChIKey XAYGKALBZYZZRV-UHFFFAOYSA-N
SMILES OCC1OC(n2ccc3c(SCc4ccccc4)ncnc32)C(O)C1O
蒸汽压 4.36E-19mmHg at 25°C
折射率 1.738

 上下游产品

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下游产品  0

 靶点实验

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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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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: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
实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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 英文别名

7-deaza-6-benzylthioinosine
4-(benzylsulfanyl)-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine
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