benzyl-5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2--carboxylate结构式
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常用名 | benzyl-5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2--carboxylate | 英文名 | benzyl-5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2--carboxylate |
|---|---|---|---|---|
| CAS号 | 859-38-1 | 分子量 | 373.40000 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C20H23NO6 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
摘要:名称:苯基-5-(乙酰氧甲基)-4-[2-(甲氧羰基)乙基]-3-甲基吡咯-2-羧酸酯;英文名:benzyl-5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2--carboxylate;CAS号:859-38-1;分子式:C20H23NO6;分子量:373.40000。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 | benzyl-5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2--carboxylate |
|---|---|
| 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。
| 分子式 | C20H23NO6 |
|---|---|
| 分子量 | 373.40000 |
| 精确质量 | 373.15300 |
| PSA | 94.69000 |
| LogP | 2.84880 |
| InChIKey | WTRXRMOVEGCOPF-UHFFFAOYSA-N |
| SMILES | COC(=O)CCc1c(COC(C)=O)[nH]c(C(=O)OCc2ccccc2)c1C |
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 0 | |
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| 下游产品 6 | |
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: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:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT 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。
| 5-Acetoxymethyl-4-(2-methoxycarbonyl-aethyl)-3-methyl-pyrrol-2-carbonsaeure-benzylester |
| benzyl 5-acetoxymethyl-4-(2-methyoxycarbonylethyl)-3-methylpyrrole-2-carboxylate |
| 5-acetoxymethyl-4-(2-methoxycarbonyl-ethyl)-3-methyl-pyrrole-2-carboxylic acid benzyl ester |
| benzyl 5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2-carboxylate |
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: 859-38-1的分子量是多少? |
| A: 859-38-1分子量为373.40000。 |
| Q: 859-38-1的LogP(油水分配系数)是多少? |
| A: 859-38-1LogP(油水分配系数)为2.84880。 |
| Q: 859-38-1的CAS号是多少? |
| A: 859-38-1CAS号为859-38-1。 |
| Q: 859-38-1的极性表面积PSA是多少? |
| A: 859-38-1极性表面积PSA为94.69000。 |
| Q: 859-38-1的InChIKey是什么? |
| A: 859-38-1InChIKey为WTRXRMOVEGCOPF-UHFFFAOYSA-N。 |
| Q: 859-38-1的分子式是什么? |
| A: 859-38-1分子式为C20H23NO6。 |
| Q: 859-38-1的SMILES表达式是什么? |
| A: 859-38-1SMILES表达式为COC(=O)CCc1c(COC(C)=O)[nH]c(C(=O)OCc2ccccc2)c1C。 |
| Q: 859-38-1的中文名称是什么? |
| A: 859-38-1的中文名称为859-38-1。 |
| Q: 859-38-1有哪些英文别名? |
| A: 859-38-1英文别名有:5-Acetoxymethyl-4-(2-methoxycarbonyl-aethyl)-3-methyl-pyrrol-2-carbonsaeure-benzylester、 benzyl 5-acetoxymethyl-4-(2-methyoxycarbonylethyl)-3-methylpyrrole-2-carboxylate、 5-acetoxymethyl-4-(2-methoxycarbonyl-ethyl)-3-methyl-pyrrole-2-carboxylic acid benzyl ester、 benzyl 5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2-carboxylate。 |
| Q: 859-38-1的英文名称是什么? |
| A: 859-38-1英文名称为benzyl-5-(acetoxymethyl)-4-[2-(methoxycarbonyl)ethyl]-3-methylpyrrole-2--carboxylate。 |