1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]结构式
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常用名 | 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino] | 英文名 | 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino] |
|---|---|---|---|---|
| CAS号 | 57000-13-2 | 分子量 | 285.30100 | |
| 密度 | 1.404g/cm3 | 沸点 | 539.3ºC at 760mmHg | |
| 分子式 | C14H15N5O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 280ºC |
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 | 8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-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 | 1.404g/cm3 |
|---|---|
| 沸点 | 539.3ºC at 760mmHg |
| 分子式 | C14H15N5O2 |
| 分子量 | 285.30100 |
| 闪点 | 280ºC |
| 精确质量 | 285.12300 |
| PSA | 84.71000 |
| LogP | 0.64540 |
| InChIKey | FEUMMCAKDXMNOR-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2[nH]c(NCc3ccccc3)nc2n(C)c1=O |
| 折射率 | 1.685 |
本表汇总该化学品毒理试验数据、急性慢性毒性以及环境生态危害相关参数。
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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~86%
1H-Purine-2,6-d... 57000-13-2 |
| 文献:Blythin; Kaminski; Domalski; Spitler; Solomon; Conn; Wong; Verbiar; Bober; Chiu Journal of Medicinal Chemistry, 1986 , vol. 29, # 6 p. 1099 - 1113 |
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 1 | |
|---|---|
| 下游产品 3 | |
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:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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实验名称:Screen for inhibitors of RMI FANCM (MM2) intereaction
来源:11908
靶标:N/A
External Id:RMI-FANCM-MM2
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实验名称:Inhibitors of CDC25B-CDK2/CyclinA interaction
来源:Center for Chemical Genomics, University of Michigan
External Id:MScreen:TargetID_600
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实验名称:High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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实验名称:Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
来源:24983
靶标:Huntingtin
External Id:KUHTS-Muma KU-CaM-Htt INH-01
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH 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。
| 8-<(phenylmethyl)amino>theophylline |
| 8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| 8-Benzylamino-1,3-dimethyl-3,7-dihydro-purin-2,6-dion |
| 8-benzylamino-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione |
| 8-(Benzylamino)theophylline |
| 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino) |
| Theophylline,8-benzylamino |
| 8-benzylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione |
| 3,7-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione |
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: 57000-13-2的沸点是多少? |
| A: 57000-13-2沸点为539.3ºC at 760mmHg。 |
| Q: 57000-13-2的分子量是多少? |
| A: 57000-13-2分子量为285.30100。 |
| Q: 57000-13-2的极性表面积PSA是多少? |
| A: 57000-13-2极性表面积PSA为84.71000。 |
| Q: 57000-13-2有哪些英文别名? |
| A: 57000-13-2英文别名有:8-theophylline、 8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione、 8-Benzylamino-1,3-dimethyl-3,7-dihydro-purin-2,6-dion、 8-benzylamino-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione、 8-(Benzylamino)theophylline、 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)、 Theophylline,8-benzylamino、 8-benzylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione、 3,7-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione。 |
| Q: 57000-13-2的分子式是什么? |
| A: 57000-13-2分子式为C14H15N5O2。 |
| Q: 57000-13-2的英文名称是什么? |
| A: 57000-13-2英文名称为8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione。 |
| Q: 57000-13-2的上游原料有哪些? |
| A: 57000-13-2相关上游原料(CAS):100-46-9。 |
| Q: 57000-13-2的CAS号是多少? |
| A: 57000-13-2CAS号为57000-13-2。 |
| Q: 57000-13-2的下游产品有哪些? |
| A: 57000-13-2相关下游产品(CAS):102212-89-5;120538-01-4;114431-60-6。 |
| Q: 57000-13-2的中文名称是什么? |
| A: 57000-13-2的中文名称为57000-13-2。 |