1H-Isoindole-1,3(2H)-dione,2,2'-(1,6-hexanediyl)bis结构式
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常用名 | 1H-Isoindole-1,3(2H)-dione,2,2'-(1,6-hexanediyl)bis | 英文名 | 1H-Isoindole-1,3(2H)-dione,2,2'-(1,6-hexanediyl)bis |
|---|---|---|---|---|
| CAS号 | 10513-98-1 | 分子量 | 376.40500 | |
| 密度 | 1.321g/cm3 | 沸点 | 552.7ºC at 760mmHg | |
| 分子式 | C22H20N2O4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 247.2ºC |
摘要:2-[6-(1,3-二氧代异吲哚-2-基)己基]异吲哚-1,3-二酮(CAS号:10513-98-1,分子式:C22H20N2O4,分子量:376.40500)是一种用于科研实验的化合物。
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 | 2-[6-(1,3-dioxoisoindol-2-yl)hexyl]isoindole-1,3-dione |
|---|---|
| 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 | 1.321g/cm3 |
|---|---|
| 沸点 | 552.7ºC at 760mmHg |
| 分子式 | C22H20N2O4 |
| 分子量 | 376.40500 |
| 闪点 | 247.2ºC |
| 精确质量 | 376.14200 |
| PSA | 74.76000 |
| LogP | 3.01500 |
| InChIKey | MJYXMZHGVMGKLG-UHFFFAOYSA-N |
| SMILES | O=C1c2ccccc2C(=O)N1CCCCCCN1C(=O)c2ccccc2C1=O |
| 蒸汽压 | 2.91E-12mmHg at 25°C |
| 折射率 | 1.628 |
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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~%
1H-Isoindole-1,... 10513-98-1 |
| 文献:THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK Patent: WO2008/54398 A2, 2008 ; Location in patent: Page/Page column 28-29 ; |
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~85%
1H-Isoindole-1,... 10513-98-1 |
| 文献:Peng, Yu; Luo, Long; Yan, Chang-Song; Zhang, Jian-Jian; Wang, Ya-Wen Journal of Organic Chemistry, 2013 , vol. 78, # 21 p. 10960 - 10967 |
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~88%
1H-Isoindole-1,... 10513-98-1 |
| 文献:Dalal; Pawar; Mahulikar Organic Preparations and Procedures International, 2007 , vol. 39, # 1 p. 81 - 85 |
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~92%
1H-Isoindole-1,... 10513-98-1 |
| 文献:De Almeida, Mauro Vieira; Teixeira, Francisco Martins; De Souza, Marcus Vinicius Nora; Amarante, Giovanni Wilson; Alves, Caio Cesar De Souza; Cardoso, Silvia Helena; Mattos, Ana Marcia; Ferreira, Ana Paula; Teixeira, Henrique Couto Chemical and Pharmaceutical Bulletin, 2007 , vol. 55, # 2 p. 223 - 226 |
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~0%
1H-Isoindole-1,... 10513-98-1 |
| 文献:Shinkai, Seiji; Ishihara, Midori; Ueda, Kaori; Manabe, Osamu Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1985 , p. 511 - 518 |
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~0%
1H-Isoindole-1,... 10513-98-1 |
| 文献:Kowalski, Piotr; Mitka, Katarzyna; Jaskowska, Jolanta; Duszynska, Beata; Bojarski, Andrzej J. Archiv der Pharmazie, 2013 , vol. 346, # 5 p. 339 - 348 |
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 5 | |
|---|---|
| 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: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: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
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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
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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
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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:High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1149-MLP
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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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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。
| N,N'-Hexandiyl-bis-phthalimid |
| N,N'-Hexamethylen-diphthalimid |
| N,N'-hexanediyl-bis-phthalimide |
| N,N'-hexane-1,6-diyl-bis-phthalimide |
| HMS3094M09 |
| 1,6-Bis-phthalimido-hexan |
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: 10513-98-1的中文名称是什么? |
| A: 10513-98-1的中文名称为10513-98-1。 |
| Q: 10513-98-1的下游产品有哪些? |
| A: 10513-98-1相关下游产品(CAS):124-09-4。 |
| Q: 10513-98-1的上游原料有哪些? |
| A: 10513-98-1相关上游原料(CAS):629-03-8;1074-82-4;5460-29-7;124-09-4;85-44-9。 |
| Q: 10513-98-1的分子量是多少? |
| A: 10513-98-1分子量为376.40500。 |
| Q: 10513-98-1的极性表面积PSA是多少? |
| A: 10513-98-1极性表面积PSA为74.76000。 |
| Q: 10513-98-1的SMILES表达式是什么? |
| A: 10513-98-1SMILES表达式为O=C1c2ccccc2C(=O)N1CCCCCCN1C(=O)c2ccccc2C1=O。 |
| Q: 10513-98-1有哪些英文别名? |
| A: 10513-98-1英文别名有:N,N'-Hexandiyl-bis-phthalimid、 N,N'-Hexamethylen-diphthalimid、 N,N'-hexanediyl-bis-phthalimide、 N,N'-hexane-1,6-diyl-bis-phthalimide、 HMS3094M09、 1,6-Bis-phthalimido-hexan。 |
| Q: 10513-98-1的沸点是多少? |
| A: 10513-98-1沸点为552.7ºC at 760mmHg。 |
| Q: 10513-98-1的InChIKey是什么? |
| A: 10513-98-1InChIKey为MJYXMZHGVMGKLG-UHFFFAOYSA-N。 |
| Q: 10513-98-1的LogP(油水分配系数)是多少? |
| A: 10513-98-1LogP(油水分配系数)为3.01500。 |