1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline结构式
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常用名 | 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline | 英文名 | 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline |
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| CAS号 | 4829-34-9 | 分子量 | 436.33900 | |
| 密度 | 1.291g/cm3 | 沸点 | 502.4ºC at 760 mmHg | |
| 分子式 | C21H26BrNO4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 257.6ºC |
摘要:1-[(2-溴-4,5-二甲氧基苯基)甲基]-6,7-二甲氧基-2-甲基-3,4-二氢异喹啉(英文名:1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline,CAS号:4829-34-9,分子式:C21H26BrNO4,分子量:436.34),仅供科研实验参考,不作为医疗诊断与用药依据。
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-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline |
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| 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 | 1.291g/cm3 |
|---|---|
| 沸点 | 502.4ºC at 760 mmHg |
| 分子式 | C21H26BrNO4 |
| 分子量 | 436.33900 |
| 闪点 | 257.6ºC |
| 精确质量 | 435.10500 |
| PSA | 40.16000 |
| LogP | 4.19310 |
| InChIKey | LGEHGMJWQAKLLI-UHFFFAOYSA-N |
| SMILES | COc1cc(Br)c(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC |
| 折射率 | 1.566 |
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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~56%
1-[(2-bromo-4,5... 4829-34-9 |
| 文献:Blank, Nancy; Opatz, Till Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9777 - 9784 |
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~%
1-[(2-bromo-4,5... 4829-34-9 |
| 文献:Blank, Nancy; Opatz, Till Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9777 - 9784 |
|
~%
1-[(2-bromo-4,5... 4829-34-9 |
| 文献:Blank, Nancy; Opatz, Till Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9777 - 9784 |
|
~%
1-[(2-bromo-4,5... 4829-34-9 |
| 文献:Blank, Nancy; Opatz, Till Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9777 - 9784 |
|
~%
1-[(2-bromo-4,5... 4829-34-9 |
| 文献:Blank, Nancy; Opatz, Till Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9777 - 9784 |
|
~%
1-[(2-bromo-4,5... 4829-34-9 |
| 文献:Blank, Nancy; Opatz, Till Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9777 - 9784 |
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 | |
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| 下游产品 0 | |
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: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: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: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
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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
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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
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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。
| 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline |
| (S)-6'-Bromlaudanosin |
| (S)-(+)-1-(2-bromo-4,5-dimethoxybenzyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
| Laudanosine,6'-bromo |
| Laudanosin,6'-bromo (R,S) |
| Prestwick_99 |
| L-6'-Brom-laudanosin |
| (S)-1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline |
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: 4829-34-9的分子量是多少? |
| A: 4829-34-9分子量为436.33900。 |
| Q: 4829-34-9的英文名称是什么? |
| A: 4829-34-9英文名称为1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline。 |
| Q: 4829-34-9的InChIKey是什么? |
| A: 4829-34-9InChIKey为LGEHGMJWQAKLLI-UHFFFAOYSA-N。 |
| Q: 4829-34-9的上游原料有哪些? |
| A: 4829-34-9相关上游原料(CAS):1344118-31-5;21852-32-4;6957-27-3;1210-57-7;4747-98-2。 |
| Q: 4829-34-9的CAS号是多少? |
| A: 4829-34-9CAS号为4829-34-9。 |
| Q: 4829-34-9有哪些英文别名? |
| A: 4829-34-9英文别名有:1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline、 (S)-6'-Bromlaudanosin、 (S)-(+)-1-(2-bromo-4,5-dimethoxybenzyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline、 Laudanosine,6'-bromo、 Laudanosin,6'-bromo (R,S)、 Prestwick_99、 L-6'-Brom-laudanosin、 (S)-1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline。 |
| Q: 4829-34-9的中文名称是什么? |
| A: 4829-34-9的中文名称为4829-34-9。 |
| Q: 4829-34-9的极性表面积PSA是多少? |
| A: 4829-34-9极性表面积PSA为40.16000。 |
| Q: 4829-34-9的LogP(油水分配系数)是多少? |
| A: 4829-34-9LogP(油水分配系数)为4.19310。 |
| Q: 4829-34-9的沸点是多少? |
| A: 4829-34-9沸点为502.4ºC at 760 mmHg。 |