Ethanone, 1,1- (1,4,-dihydro-2,6-dimethyl-4-phenyl-3, 5-pyridinediyl)bis

• 常用名: Ethanone, 1,1- (1,4,-dihydro-2,6-dimethyl-4-phenyl-3, 5-pyridinediyl)bis
• 英文名: Ethanone, 1,1- (1,4,-dihydro-2,6-dimethyl-4-phenyl-3, 5-pyridinediyl)bis
• CAS号: 20970-67-6
• 分子量: 269.33800
• 密度: 1.087g/cm3
• 沸点: 440ºC at 760 mmHg
• 分子式: C₁₇H₁₉NO₂
• 熔点: N/A
• 闪点: 159.9ºC

名称

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-(5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl)ethanone

物理化学性质

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: 1.087g/cm3
• 沸点: 440ºC at 760 mmHg
• 分子式: C₁₇H₁₉NO₂
• 分子量: 269.33800
• 闪点: 159.9ºC
• 精确质量: 269.14200
• PSA: 46.17000
• LogP: 3.42820
• InChIKey: GAJJRTVBAXALLD-UHFFFAOYSA-N
• SMILES: CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccccc1
• 蒸汽压: 6.09E-08mmHg at 25°C
• 折射率: 1.541

安全信息

本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。

• 海关编码: 2933399090

海关

本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。

• 海关编码: 2933399090
• 中文概述: 2933399090. 其他结构含非稠合吡啶环的化合物. 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: 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

靶点实验

查看更多实验

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。

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

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

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

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

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

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.

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

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

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

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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英文别名

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。

• 3,5-diacetyl-4-phenyl-2,6-dimethyl-1,4-dihydropyridine
• 4-Phenyl-2,6-dimethyl-3,5-diacetyl-1,4-dihydropyridine
• 3,5-diacetyl-2,6-dimethyl-4-phenyl-1,4-dihydro-pyridine

常见问题

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: 20970-67-6的LogP（油水分配系数）是多少？

A: 20970-67-6LogP（油水分配系数）为3.42820。

Q: 20970-67-6的分子式是什么？

A: 20970-67-6分子式为C17H19NO2。

Q: 20970-67-6的上游原料有哪些？

A: 20970-67-6相关上游原料（CAS）：100-52-7;123-54-6;60-35-5;80012-14-2;105-45-3;23865-30-7;57-13-6;1118-66-7;15802-62-7;4335-90-4。

Q: 20970-67-6的分子量是多少？

A: 20970-67-6分子量为269.33800。

Q: 20970-67-6的SMILES表达式是什么？

A: 20970-67-6SMILES表达式为CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccccc1。

Q: 20970-67-6的沸点是多少？

A: 20970-67-6沸点为440ºC at 760 mmHg。

Q: 20970-67-6有哪些英文别名？

A: 20970-67-6英文别名有：3,5-diacetyl-4-phenyl-2,6-dimethyl-1,4-dihydropyridine、 4-Phenyl-2,6-dimethyl-3,5-diacetyl-1,4-dihydropyridine、 3,5-diacetyl-2,6-dimethyl-4-phenyl-1,4-dihydro-pyridine。

Q: 20970-67-6的极性表面积PSA是多少？

A: 20970-67-6极性表面积PSA为46.17000。

Q: 20970-67-6的InChIKey是什么？

A: 20970-67-6InChIKey为GAJJRTVBAXALLD-UHFFFAOYSA-N。

Q: 20970-67-6的英文名称是什么？

A: 20970-67-6英文名称为1-(5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl)ethanone。