[2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium,chloride

• 常用名: [2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium,chloride
• 英文名: [2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium,chloride
• CAS号: 87415-49-4
• 分子量: 442.97800
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₅H₃₁ClN₂O₃
• 熔点: N/A
• 闪点: N/A

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: [2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium,chloride

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。

• 分子式: C₂₅H₃₁ClN₂O₃
• 分子量: 442.97800
• 精确质量: 442.20200
• PSA: 64.88000
• LogP: 5.23540
• InChIKey: VHHFHLOCPORFDL-UHFFFAOYSA-N
• SMILES: Cc1cccc(C)c1NC(=O)C[N+](C)(C)CC(O)COc1cccc2ccccc12.[Cl-]

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

共113条，当前第1页，共12页

1

2

3

4

5

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。

• DIMETHYL(2-HYDROXY-3-(NAPHTHALEN-1-YLOXY)PROPYL)(((2,6-XYLYL)CARBAMOYL)METHYL)AMMONIUM CHLORIDE
• HMS2718D18
• Ammonium,dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)-,chloride
• Dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)ammonium chloride

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: 87415-49-4的SMILES表达式是什么？

A: 87415-49-4SMILES表达式为Cc1cccc(C)c1NC(=O)C[N+](C)(C)CC(O)COc1cccc2ccccc12.[Cl-]。

Q: 87415-49-4的英文名称是什么？

A: 87415-49-4英文名称为[2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium,chloride。

Q: 87415-49-4的InChIKey是什么？

A: 87415-49-4InChIKey为VHHFHLOCPORFDL-UHFFFAOYSA-N。

Q: 87415-49-4的CAS号是多少？

A: 87415-49-4CAS号为87415-49-4。

Q: 87415-49-4的中文名称是什么？

A: 87415-49-4的中文名称为87415-49-4。

Q: 87415-49-4的LogP（油水分配系数）是多少？

A: 87415-49-4LogP（油水分配系数）为5.23540。

Q: 87415-49-4有哪些英文别名？

A: 87415-49-4英文别名有：DIMETHYL(2-HYDROXY-3-(NAPHTHALEN-1-YLOXY)PROPYL)(((2,6-XYLYL)CARBAMOYL)METHYL)AMMONIUM CHLORIDE、 HMS2718D18、 Ammonium,dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)-,chloride、 Dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)ammonium chloride。

Q: 87415-49-4的分子量是多少？

A: 87415-49-4分子量为442.97800。

Q: 87415-49-4的分子式是什么？

A: 87415-49-4分子式为C25H31ClN2O3。

Q: 87415-49-4的极性表面积PSA是多少？

A: 87415-49-4极性表面积PSA为64.88000。