1-methyl-4-(4-nitrophenyl)-1,4-diazepane结构式
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常用名 | 1-methyl-4-(4-nitrophenyl)-1,4-diazepane | 英文名 | 1-methyl-4-(4-nitrophenyl)-1,4-diazepane |
|---|---|---|---|---|
| CAS号 | 223786-22-9 | 分子量 | 235.28200 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H17N3O2 | 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 | 1-methyl-4-(4-nitrophenyl)-1,4-diazepane |
|---|---|
| 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 | C12H17N3O2 |
|---|---|
| 分子量 | 235.28200 |
| 精确质量 | 235.13200 |
| PSA | 52.30000 |
| LogP | 2.26280 |
| InChIKey | XNADLAKKHYPORF-UHFFFAOYSA-N |
| SMILES | CN1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 |
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%
1-methyl-4-(4-n... 223786-22-9 |
| 文献:Sabelle, Stephane; Terranova, Eric Patent: US2005/102769 A1, 2005 ; Location in patent: Page/Page column 9-10 ; |
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~%
1-methyl-4-(4-n... 223786-22-9 |
| 文献:Hoeglund, Iisa P. J.; Silver, Satu; Engstroem, Mia T.; Salo, Harri; Tauber, Andrei; Kyyroenen, Hanna-Kaisa; Saarenketo, Pauli; Hoffren, Anna-Marja; Kokko, Kurt; Pohjanoksa, Katariina; Sallinen, Jukka; Savola, Juha-Matti; Wurster, Siegfried; Kallatsa, Oili A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 21 p. 6351 - 6363 |
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1-methyl-4-(4-n... 223786-22-9 |
| 文献:Hoeglund, Iisa P. J.; Silver, Satu; Engstroem, Mia T.; Salo, Harri; Tauber, Andrei; Kyyroenen, Hanna-Kaisa; Saarenketo, Pauli; Hoffren, Anna-Marja; Kokko, Kurt; Pohjanoksa, Katariina; Sallinen, Jukka; Savola, Juha-Matti; Wurster, Siegfried; Kallatsa, Oili A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 21 p. 6351 - 6363 |
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。
| 1-methyl-4-(4-nitrophenyl)-1,4-diazepane上游产品 4 | |
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| 1-methyl-4-(4-nitrophenyl)-1,4-diazepane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: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: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
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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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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。
| hms2672e15 |
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: 223786-22-9的分子量是多少? |
| A: 223786-22-9分子量为235.28200。 |
| Q: 223786-22-9有哪些英文别名? |
| A: 223786-22-9英文别名有:hms2672e15。 |
| Q: 223786-22-9的CAS号是多少? |
| A: 223786-22-9CAS号为223786-22-9。 |
| Q: 223786-22-9的英文名称是什么? |
| A: 223786-22-9英文名称为1-methyl-4-(4-nitrophenyl)-1,4-diazepane。 |
| Q: 223786-22-9的InChIKey是什么? |
| A: 223786-22-9InChIKey为XNADLAKKHYPORF-UHFFFAOYSA-N。 |
| Q: 223786-22-9的SMILES表达式是什么? |
| A: 223786-22-9SMILES表达式为CN1CCCN(c2ccc([N+](=O)[O-])cc2)CC1。 |
| Q: 223786-22-9的分子式是什么? |
| A: 223786-22-9分子式为C12H17N3O2。 |
| Q: 223786-22-9的中文名称是什么? |
| A: 223786-22-9的中文名称为223786-22-9。 |
| Q: 223786-22-9的下游产品有哪些? |
| A: 223786-22-9相关下游产品(CAS):219132-82-8。 |
| Q: 223786-22-9的上游原料有哪些? |
| A: 223786-22-9相关上游原料(CAS):4318-37-0;350-46-9;505-66-8;586-78-7。 |