5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile结构式
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常用名 | 5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile | 英文名 | 5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile |
|---|---|---|---|---|
| CAS号 | 88745-01-1 | 分子量 | 311.34000 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C19H13N5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
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。
| 英文名 | 5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile |
|---|---|
| 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。
| 分子式 | C19H13N5 |
|---|---|
| 分子量 | 311.34000 |
| 精确质量 | 311.11700 |
| PSA | 100.63000 |
| LogP | 3.74064 |
| InChIKey | VPVNUZANVWHEPW-UHFFFAOYSA-N |
| SMILES | N#CC1=C(N)N(c2ccccc2)C(c2ccccc2)C1(C#N)C#N |
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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~93%
5-amino-1,2-dip... 88745-01-1 |
| 文献:Nasakin, O.E.; Alekseev, V.V.; Terent'ev, P.B.; Bulai, A.Kh.; Zablotskaya, M.Yu. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , p. 851 - 854 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , vol. 19, # 8 p. 1062 - 1066 |
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~79%
5-amino-1,2-dip... 88745-01-1 |
| 文献:Nasakin, O. E.; Lyshchikov, A. N.; Lukin, P. M.; Tafeenko, V. A.; Bulai, A. Kh.; Medvedev, S. V. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 10 p. 1124 - 1129 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 10 p. 1325 - 1330 |
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~%
5-amino-1,2-dip... 88745-01-1 |
| 文献:Nasakin; Lyshchikov; Kayukov; Sheverdov Pharmaceutical Chemistry Journal, 2000 , vol. 34, # 4 p. 170 - 185 |
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。
| 上游产品 3 | |
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| 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:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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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: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-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile |
| 3H-Pyrrole-3,3,4-tricarbonitrile,5-amino-1,2-dihydro-1,2-diphenyl |
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: 88745-01-1的上游原料有哪些? |
| A: 88745-01-1相关上游原料(CAS):14778-29-1;1750-36-3;538-51-2。 |
| Q: 88745-01-1的分子式是什么? |
| A: 88745-01-1分子式为C19H13N5。 |
| Q: 88745-01-1的英文名称是什么? |
| A: 88745-01-1英文名称为5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile。 |
| Q: 88745-01-1的下游产品有哪些? |
| A: 88745-01-1相关下游产品(CAS):78563-59-4。 |
| Q: 88745-01-1的分子量是多少? |
| A: 88745-01-1分子量为311.34000。 |
| Q: 88745-01-1有哪些英文别名? |
| A: 88745-01-1英文别名有:5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile、 3H-Pyrrole-3,3,4-tricarbonitrile,5-amino-1,2-dihydro-1,2-diphenyl。 |
| Q: 88745-01-1的CAS号是多少? |
| A: 88745-01-1CAS号为88745-01-1。 |
| Q: 88745-01-1的InChIKey是什么? |
| A: 88745-01-1InChIKey为VPVNUZANVWHEPW-UHFFFAOYSA-N。 |
| Q: 88745-01-1的LogP(油水分配系数)是多少? |
| A: 88745-01-1LogP(油水分配系数)为3.74064。 |
| Q: 88745-01-1的极性表面积PSA是多少? |
| A: 88745-01-1极性表面积PSA为100.63000。 |