2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-(1-piperidinylmethyl)结构式
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常用名 | 2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-(1-piperidinylmethyl) | 英文名 | 2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-(1-piperidinylmethyl) |
|---|---|---|---|---|
| CAS号 | 10549-62-9 | 分子量 | 273.32700 | |
| 密度 | 1.242g/cm3 | 沸点 | 460.3ºC at 760mmHg | |
| 分子式 | C16H19NO3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 232.2ºC |
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-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-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 | 1.242g/cm3 |
|---|---|
| 沸点 | 460.3ºC at 760mmHg |
| 分子式 | C16H19NO3 |
| 分子量 | 273.32700 |
| 闪点 | 232.2ºC |
| 精确质量 | 273.13600 |
| PSA | 53.68000 |
| LogP | 2.73080 |
| InChIKey | DIJMIZCQAHRDQL-UHFFFAOYSA-N |
| SMILES | Cc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 |
| 蒸汽压 | 4.29E-09mmHg at 25°C |
| 折射率 | 1.606 |
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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~67%
2H-1-Benzopyran... 10549-62-9 |
| 文献:Ghantwal; Samant Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999 , vol. 38, # 11 p. 1242 - 1247 |
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 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: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: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: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: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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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-hydroxy-4-methyl-8-(piperidinomethyl)coumarin |
| 7-Hydroxy-4-methyl-8-piperidinomethyl-cumarin |
| 8-Piperidinomethyl-7-hydroxy-4-methyl-cumarin |
| HMS1479O11 |
| 7-hydroxy-4-methyl-8-piperidin-1-ylmethyl-chromen-2-one |
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: 10549-62-9的英文名称是什么? |
| A: 10549-62-9英文名称为7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one。 |
| Q: 10549-62-9的上游原料有哪些? |
| A: 10549-62-9相关上游原料(CAS):110-89-4;50-00-0;90-33-5。 |
| Q: 10549-62-9的中文名称是什么? |
| A: 10549-62-9的中文名称为10549-62-9。 |
| Q: 10549-62-9的SMILES表达式是什么? |
| A: 10549-62-9SMILES表达式为Cc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12。 |
| Q: 10549-62-9有哪些英文别名? |
| A: 10549-62-9英文别名有:7-hydroxy-4-methyl-8-(piperidinomethyl)coumarin、 7-Hydroxy-4-methyl-8-piperidinomethyl-cumarin、 8-Piperidinomethyl-7-hydroxy-4-methyl-cumarin、 HMS1479O11、 7-hydroxy-4-methyl-8-piperidin-1-ylmethyl-chromen-2-one。 |
| Q: 10549-62-9的分子式是什么? |
| A: 10549-62-9分子式为C16H19NO3。 |
| Q: 10549-62-9的极性表面积PSA是多少? |
| A: 10549-62-9极性表面积PSA为53.68000。 |
| Q: 10549-62-9的沸点是多少? |
| A: 10549-62-9沸点为460.3ºC at 760mmHg。 |
| Q: 10549-62-9的LogP(油水分配系数)是多少? |
| A: 10549-62-9LogP(油水分配系数)为2.73080。 |
| Q: 10549-62-9的InChIKey是什么? |
| A: 10549-62-9InChIKey为DIJMIZCQAHRDQL-UHFFFAOYSA-N。 |