2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-1-methyl-5-phenyl-, 4-oxide结构式
|
常用名 | 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-1-methyl-5-phenyl-, 4-oxide | 英文名 | 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-1-methyl-5-phenyl-, 4-oxide |
|---|---|---|---|---|
| CAS号 | 2888-64-4 | 分子量 | 300.74000 | |
| 密度 | 1.37g/cm3 | 沸点 | 579.4ºC at 760mmHg | |
| 分子式 | C16H13ClN2O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 304.2ºC |
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 | 7-chloro-1-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one |
|---|---|
| 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 | 1.37g/cm3 |
|---|---|
| 沸点 | 579.4ºC at 760mmHg |
| 分子式 | C16H13ClN2O2 |
| 分子量 | 300.74000 |
| 闪点 | 304.2ºC |
| 精确质量 | 300.06700 |
| PSA | 49.06000 |
| LogP | 2.68790 |
| InChIKey | FPRDNGOSKVGXHA-UHFFFAOYSA-N |
| SMILES | CN1C(=O)C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc21 |
| 蒸汽压 | 2.03E-13mmHg at 25°C |
| 折射率 | 1.672 |
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。
|
~%
2H-1,4-Benzodia... 2888-64-4 |
| 文献:Boehringer Mannheim GmbH Patent: US5662911 A1, 1997 ; |
|
~2%
2H-1,4-Benzodia... 2888-64-4
查看详情
|
| 文献:Warner-Lambert Company Patent: US6815543 B1, 2004 ; Location in patent: Page column 8-10 ; |
|
~4%
详细
查看详情
|
| 文献:Warner-Lambert Company Patent: US6815543 B1, 2004 ; Location in patent: Page column 8-10 ; |
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 | |
|---|---|
| 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。
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
实验名称:uHTS identification of small molecule modulators of NR3A
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1015-NR3A-Primary-Assay
|
|
实验名称:uHTS identification of small molecule modulators of Rev-erb Alpha.
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1016-RevErbaLBD-Primary-Assay
|
|
实验名称:MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
来源:Broad Institute
靶标:N/A
External Id:2084-01_Activator_SinglePoint_HTS_Activity
|
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。
| 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide |
| diazepam 4-oxide |
| 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one 4-oxide |
| Diazepam N-oxide |
| HMS3078B17 |
| 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide |
| 7-chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one N4-oxide |
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: 2888-64-4的沸点是多少? |
| A: 2888-64-4沸点为579.4ºC at 760mmHg。 |
| Q: 2888-64-4的CAS号是多少? |
| A: 2888-64-4CAS号为2888-64-4。 |
| Q: 2888-64-4的中文名称是什么? |
| A: 2888-64-4的中文名称为2888-64-4。 |
| Q: 2888-64-4的极性表面积PSA是多少? |
| A: 2888-64-4极性表面积PSA为49.06000。 |
| Q: 2888-64-4的分子量是多少? |
| A: 2888-64-4分子量为300.74000。 |
| Q: 2888-64-4的上游原料有哪些? |
| A: 2888-64-4相关上游原料(CAS):64741-01-1;108-20-3;439-14-5。 |
| Q: 2888-64-4的InChIKey是什么? |
| A: 2888-64-4InChIKey为FPRDNGOSKVGXHA-UHFFFAOYSA-N。 |
| Q: 2888-64-4的LogP(油水分配系数)是多少? |
| A: 2888-64-4LogP(油水分配系数)为2.68790。 |
| Q: 2888-64-4有哪些英文别名? |
| A: 2888-64-4英文别名有:7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide、 diazepam 4-oxide、 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one 4-oxide、 Diazepam N-oxide、 HMS3078B17、 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide、 7-chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one N4-oxide。 |
| Q: 2888-64-4的下游产品有哪些? |
| A: 2888-64-4相关下游产品(CAS):846-50-4。 |