5-硝基-2-(3-吡啶基)苯并咪唑结构式
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常用名 | 5-硝基-2-(3-吡啶基)苯并咪唑 | 英文名 | 5-nitro-2-(3-pyridinyl)-1H-benzimidazole |
|---|---|---|---|---|
| CAS号 | 145861-59-2 | 分子量 | 240.21800 | |
| 密度 | 1.451g/cm3 | 沸点 | 518.9ºC at 760mmHg | |
| 分子式 | C12H8N4O2 | 熔点 | 242-244℃ | |
| MSDS | N/A | 闪点 | 267.6ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 中文名 | 5-硝基-2-(3-吡啶基)苯并咪唑 |
|---|---|
| 英文名 | 6-nitro-2-pyridin-3-yl-1H-benzimidazole |
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.451g/cm3 |
|---|---|
| 沸点 | 518.9ºC at 760mmHg |
| 熔点 | 242-244℃ |
| 分子式 | C12H8N4O2 |
| 分子量 | 240.21800 |
| 闪点 | 267.6ºC |
| 精确质量 | 240.06500 |
| PSA | 87.39000 |
| LogP | 3.05630 |
| InChIKey | IIIXDDOCSBCSNQ-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1 |
| 蒸汽压 | 7.16E-11mmHg at 25°C |
| 折射率 | 1.727 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~63%
5-硝基-2-(3-吡啶基)苯并咪唑 145861-59-2 |
| 文献:Jung, Myung Hee; Park, Jung Mee; Lee, Ihl-Young Choi; Ahn, Mija Journal of Heterocyclic Chemistry, 2003 , vol. 40, # 1 p. 37 - 44 |
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~79%
5-硝基-2-(3-吡啶基)苯并咪唑 145861-59-2 |
| 文献:Ambacheu; Pleshakov; Baatkh; Zvolinskii; Kharlamova; Obynochnyi; Prostakov Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 4 p. 421 - 428 |
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~%
5-硝基-2-(3-吡啶基)苯并咪唑 145861-59-2 |
| 文献:Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 3 p. 695 - 699 |
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~49%
5-硝基-2-(3-吡啶基)苯并咪唑 145861-59-2 |
| 文献:Jain, Priyal; Sharma, Prakash Kumar; Rajak, Harish; Pawar, Rajesh Singh; Patil, Umesh Kumar; Singour, Pradeep Kumar Archives of Pharmacal Research, 2010 , vol. 33, # 7 p. 971 - 980 |
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~%
5-硝基-2-(3-吡啶基)苯并咪唑 145861-59-2 |
| 文献:Chemistry of Heterocyclic Compounds, , vol. 36, # 4 p. 421 - 428 |
|
~%
5-硝基-2-(3-吡啶基)苯并咪唑 145861-59-2 |
| 文献:Chemistry of Heterocyclic Compounds, , vol. 36, # 4 p. 421 - 428 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 5-硝基-2-(3-吡啶基)苯并咪唑上游产品 6 | |
|---|---|
| 5-硝基-2-(3-吡啶基)苯并咪唑下游产品 1 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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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
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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
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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
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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
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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
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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
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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
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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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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| 5-nitro-2-pyridin-3-yl-1H-benzimidazole |
| 5-Nitro-2-pyridin-3-yl-1H-benzoimidazole |
| MFCD00434206 |
| 5-Nitro-2-<3-pyridyl>-benzimidazol |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的上游原料有哪些? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑相关上游原料(CAS):500-22-1;99-56-9;1137-67-3;59-67-6;1121-60-4;95-54-5。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的分子量是多少? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑分子量为240.21800。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的下游产品有哪些? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑相关下游产品(CAS):1571-99-9。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的英文名称是什么? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑英文名称为6-nitro-2-pyridin-3-yl-1H-benzimidazole。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的极性表面积PSA是多少? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑极性表面积PSA为87.39000。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的CAS号是多少? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑CAS号为145861-59-2。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的SMILES表达式是什么? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑SMILES表达式为O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑的InChIKey是什么? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑InChIKey为IIIXDDOCSBCSNQ-UHFFFAOYSA-N。 |
| Q: 5-硝基-2-(3-吡啶基)苯并咪唑有哪些英文别名? |
| A: 5-硝基-2-(3-吡啶基)苯并咪唑英文别名有:5-nitro-2-pyridin-3-yl-1H-benzimidazole、5-Nitro-2-pyridin-3-yl-1H-benzoimidazole、MFCD00434206、5-Nitro-2--benzimidazol。 |
| Q: 145861-59-2的中文名称是什么? |
| A: 145861-59-2的中文名称为5-硝基-2-(3-吡啶基)苯并咪唑。 |