吲哚-3-丙酰胺结构式
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常用名 | 吲哚-3-丙酰胺 | 英文名 | IPAM |
|---|---|---|---|---|
| CAS号 | 5814-93-7 | 分子量 | 188.22600 | |
| 密度 | 1.238g/cm3 | 沸点 | 487.6ºC at 760mmHg | |
| 分子式 | C11H12N2O | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 248.7ºC |
| 中文名 | 吲哚-3-丙酰胺 |
|---|---|
| 英文名 | 3-(1H-indol-3-yl)propanamide |
| 中文别名 | 3-(1H-吲哚-3-基)丙酰胺 |
| 英文别名 | 更多 |
| 密度 | 1.238g/cm3 |
|---|---|
| 沸点 | 487.6ºC at 760mmHg |
| 分子式 | C11H12N2O |
| 分子量 | 188.22600 |
| 闪点 | 248.7ºC |
| 精确质量 | 188.09500 |
| PSA | 58.88000 |
| LogP | 2.28610 |
| InChIKey | OTVHXWFANORBAK-UHFFFAOYSA-N |
| SMILES | NC(=O)CCc1c[nH]c2ccccc12 |
| 折射率 | 1.662 |
| 储存条件 | -20°C, 干燥 |
| 分子结构 | 1、 摩尔折射率:56.27 2、 摩尔体积(cm3/mol):151.9 3、 等张比容(90.2K):421.1 4、 表面张力(dyne/cm):58.9 5、 极化率(10-24cm3):22.30 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 3.氢键受体数量:1 4.可旋转化学键数量:3 5.互变异构体数量:3 6.拓扑分子极性表面积58.9 7.重原子数量:14 8.表面电荷:0 9.复杂度:217 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1. 熔点(760 mmHg,ºC):134-136 2.沸点(760 mmHg,ºC):1.238 3.闪点(ºC):248.7 4.密度(g/cm3):1.238g |
| 海关编码 | 2933990090 |
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~98%
吲哚-3-丙酰胺 5814-93-7 |
| 文献:Mewshaw, Richard E.; Zhou, Dahui; Zhou, Ping; Shi, Xiaojie; Hornby, Geoffrey; Spangler, Taylor; Scerni, Rosemary; Smith, Deborah; Schechter, Lee E.; Andree, Terrance H. Journal of Medicinal Chemistry, 2004 , vol. 47, # 15 p. 3823 - 3842 |
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~97%
吲哚-3-丙酰胺 5814-93-7 |
| 文献:Pappolla, Miguel; Poeggeler, Burkhard Patent: US2007/105937 A1, 2007 ; Location in patent: Page/Page column 4 ; |
|
~90%
吲哚-3-丙酰胺 5814-93-7 |
| 文献:Doernyei, Gabor; Incze, Maria; Kajtar-Peredy, Maria; Szantay, Csaba Collection of Czechoslovak Chemical Communications, 2002 , vol. 67, # 11 p. 1669 - 1680 |
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~%
吲哚-3-丙酰胺 5814-93-7 |
| 文献:Advanced Synthesis and Catalysis, , vol. 351, # 17 p. 2817 - 2821 |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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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: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: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: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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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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| 1H-Indole-3-propanamide |
| 3-Indolepropionamide |
| indole-3-propanamide |
| MFCD00152109 |
| 3-indol-3-yl-propionic acid amide |
| 3-Indol-3-yl-propionsaeure-amid |
| Indole-3-propionamide |
| 3-indol-3-yl-propionamide |