1,1'-((1S,2S,3R,4S,5S,6R)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine

• 常用名: 1,1'-((1S,2S,3R,4S,5S,6R)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
• 英文名: 1,1'-((1S,2S,3R,4S,5S,6R)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
• CAS号: 1217442-17-5
• 分子量: 581.6
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₁H₃₉N₇O₁₂
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: 1,1'-((1S,2S,3R,4S,5S,6R)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine

物理化学性质

• 分子式: C₂₁H₃₉N₇O₁₂
• 分子量: 581.6
• InChIKey: UCSJYZPVAKXKNQ-ZCTIVXDHSA-N
• SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O

靶点实验

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实验名称：Cellular viability qHTS for adrenocortical cancer (ACC) cell line SW-13 来源：NCGC 靶标：N/A External Id：ACC-ATC-p1-SW13-72hr

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实验名称：Cellular viability qHTS for adrenocortical cancer (ACC) cell line NCI-H295R 来源：NCGC 靶标：N/A External Id：ACC-ATC-p1-H295R-72hr

实验名称：Vibrio cholerae assay for pro-quorum sensing small molecules 来源：Southern Research Specialized Biocontainment Screening Center 靶标：cyclic AMP receptor protein [Vibrio cholerae O1 biovar El Tor str. N16961] External Id：Vcholera_QS_Pilot

实验名称：Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry 来源：NCGC 靶标：N/A External Id：TRND-SARS-CoV-2-cytotox-48hr

实验名称：Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in H... 来源：Southern Research Institute 靶标：CFTR External Id：CF Folding

实验名称：Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry 来源：NCGC External Id：TRND-SARS-CoV-2-PP

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