5-氟-1-甲基-1H-吲哚-3-甲醛结构式
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常用名 | 5-氟-1-甲基-1H-吲哚-3-甲醛 | 英文名 | 5-Fluoro-1-methyl-1H-indole-3-carbaldehyde |
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| CAS号 | 441715-30-6 | 分子量 | 177.17500 | |
| 密度 | 1.2g/cm3 | 沸点 | 322.3ºC at 760 mmHg | |
| 分子式 | C10H8FNO | 熔点 | N/A | |
| MSDS | 美版 | 闪点 | 148.7ºC | |
| 符号 |
GHS05 |
信号词 | Danger |
| 中文名 | 5-氟-1-甲基-1H-吲哚-3-甲醛 |
|---|---|
| 英文名 | 5-fluoro-1-methylindole-3-carbaldehyde |
| 英文别名 | 更多 |
| 密度 | 1.2g/cm3 |
|---|---|
| 沸点 | 322.3ºC at 760 mmHg |
| 分子式 | C10H8FNO |
| 分子量 | 177.17500 |
| 闪点 | 148.7ºC |
| 精确质量 | 177.05900 |
| PSA | 22.00000 |
| LogP | 2.12990 |
| InChIKey | ZBZJEWSFESAGMQ-UHFFFAOYSA-N |
| SMILES | Cn1cc(C=O)c2cc(F)ccc21 |
| 折射率 | 1.568 |
| 储存条件 | 2-8°C, 惰性气体 |
| 符号 |
GHS05 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H318 |
| 警示性声明 | P280-P305 + P351 + P338 |
| 危害码 (欧洲) | Xi |
| 危险品运输编码 | NONH for all modes of transport |
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5-氟-1-甲基-1H-吲哚-3-甲醛 441715-30-6 |
| 文献:DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1346982 A1, 2003 ; |
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5-氟-1-甲基-1H-吲哚-3-甲醛 441715-30-6 |
| 文献:Setoguchi, Masaki; Iimura, Shin; Sugimoto, Yuuichi; Yoneda, Yoshiyuki; Chiba, Jun; Watanabe, Toshiyuki; Muro, Fumihito; Iigo, Yutaka; Takayama, Gensuke; Yokoyama, Mika; Taira, Tomoe; Aonuma, Misato; Takashi, Tohru; Nakayama, Atsushi; MacHinaga, Nobuo Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 3 p. 1201 - 1212 |
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~85%
5-氟-1-甲基-1H-吲哚-3-甲醛 441715-30-6 |
| 文献:Chen, Jianbin; Liu, Bin; Liu, Dongfang; Liu, Shan; Cheng, Jiang Advanced Synthesis and Catalysis, 2012 , vol. 354, # 13 p. 2438 - 2442 |
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~81%
5-氟-1-甲基-1H-吲哚-3-甲醛 441715-30-6 |
| 文献:Fei, Haiyang; Yu, Jintao; Jiang, Yan; Guo, Huan; Cheng, Jiang Organic and Biomolecular Chemistry, 2013 , vol. 11, # 41 p. 7092 - 7095 |
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5-氟-1-甲基-1H-吲哚-3-甲醛 441715-30-6 |
| 文献:Tripathy, Rabindranath; Ghose, Arup; Singh, Jasbir; Bacon, Edward R.; Angeles, Thelma S.; Yang, Shi X.; Albom, Mark S.; Aimone, Lisa D.; Herman, Joseph L.; Mallamo, John P. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 6 p. 1793 - 1798 |
| 5-氟-1-甲基-1H-吲哚-3-甲醛上游产品 7 | |
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| 5-氟-1-甲基-1H-吲哚-3-甲醛下游产品 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: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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| 5-fluoro-1-methyl-1H-indole-3-carbaldehyde |
| HMS2669N14 |
| 5-fluoro-1-methyl-1H-indole-3-carboxaldehyde |