1-(7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone结构式
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常用名 | 1-(7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone | 英文名 | 1-(7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone |
|---|---|---|---|---|
| CAS号 | 17952-72-6 | 分子量 | 258.31600 | |
| 密度 | 1.201g/cm3 | 沸点 | 484.5ºC at 760 mmHg | |
| 分子式 | C15H18N2O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 246.8ºC |
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-(7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone |
|---|---|
| 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 | 1.201g/cm3 |
|---|---|
| 沸点 | 484.5ºC at 760 mmHg |
| 分子式 | C15H18N2O2 |
| 分子量 | 258.31600 |
| 闪点 | 246.8ºC |
| 精确质量 | 258.13700 |
| PSA | 45.33000 |
| LogP | 2.58000 |
| InChIKey | NNLZQQMDIFUVRE-UHFFFAOYSA-N |
| SMILES | COc1ccc2c3c([nH]c2c1)C(C)N(C(C)=O)CC3 |
| 蒸汽压 | 1.53E-09mmHg at 25°C |
| 折射率 | 1.613 |
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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~99%
1-(7-methoxy-1-... 17952-72-6 |
| 文献:Begum, Sabira; Hassan, Syed Imran; Siddiqui, Bina S. Synthetic Communications, 2005 , vol. 35, # 1 p. 23 - 39 |
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~%
1-(7-methoxy-1-... 17952-72-6 |
| 文献:Fischer,O. Chemische Berichte, 1897 , vol. 30, p. 2485,2486 Chem. Zentralbl., 1901 , vol. 72, # I p. 958 |
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 2 | |
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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: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: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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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。
| 4-acetyltetrahydroharmine |
| (+/-)-4-N-acetyl-tetrahydroharmine |
| 1-(7-methoxy-1-methyl-1,3,4,9-tetrahydro-2h-|A-carbolin-2-yl)ethanone |
| HMS2885O12 |
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: 17952-72-6的分子量是多少? |
| A: 17952-72-6分子量为258.31600。 |
| Q: 17952-72-6的极性表面积PSA是多少? |
| A: 17952-72-6极性表面积PSA为45.33000。 |
| Q: 17952-72-6有哪些英文别名? |
| A: 17952-72-6英文别名有:4-acetyltetrahydroharmine、 (+/-)-4-N-acetyl-tetrahydroharmine、 1-(7-methoxy-1-methyl-1,3,4,9-tetrahydro-2h-|A-carbolin-2-yl)ethanone、 HMS2885O12。 |
| Q: 17952-72-6的SMILES表达式是什么? |
| A: 17952-72-6SMILES表达式为COc1ccc2c3c([nH]c2c1)C(C)N(C(C)=O)CC3。 |
| Q: 17952-72-6的LogP(油水分配系数)是多少? |
| A: 17952-72-6LogP(油水分配系数)为2.58000。 |
| Q: 17952-72-6的CAS号是多少? |
| A: 17952-72-6CAS号为17952-72-6。 |
| Q: 17952-72-6的英文名称是什么? |
| A: 17952-72-6英文名称为1-(7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone。 |
| Q: 17952-72-6的沸点是多少? |
| A: 17952-72-6沸点为484.5ºC at 760 mmHg。 |
| Q: 17952-72-6的中文名称是什么? |
| A: 17952-72-6的中文名称为17952-72-6。 |
| Q: 17952-72-6的InChIKey是什么? |
| A: 17952-72-6InChIKey为NNLZQQMDIFUVRE-UHFFFAOYSA-N。 |