4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile

• 常用名: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile
• 英文名: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile
• CAS号: 88338-88-9
• 分子量: 247.25300
• 密度: 1.37g/cm3
• 沸点: 532.2ºC at 760 mmHg
• 分子式: C₁₁H₁₃N₅O₂
• 熔点: N/A
• 闪点: 275.7ºC

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: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile

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: 1.37g/cm3
• 沸点: 532.2ºC at 760 mmHg
• 分子式: C₁₁H₁₃N₅O₂
• 分子量: 247.25300
• 闪点: 275.7ºC
• 精确质量: 247.10700
• PSA: 85.61000
• InChIKey: DJAXYTCEYBZGKN-UHFFFAOYSA-N
• SMILES: Cn1c(=O)c2c(ncn2CCCC#N)n(C)c1=O
• 折射率: 1.66

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：Antimicrobial activity against Candida albicans MTCC 10145 incubated overnight by two... 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL3870594

实验名称：Antimicrobial activity against Staphylococcus aureus ATCC 25923 incubated overnight b... 来源：ChEMBL 靶标：Staphylococcus aureus External Id：CHEMBL3870590

实验名称：Antimicrobial activity against Bacillus cereus ATCC 10876 incubated overnight by two-... 来源：ChEMBL 靶标：Bacillus cereus External Id：CHEMBL3870591

实验名称：Antimicrobial activity against Escherichia coli ATCC 25922 incubated overnight by two... 来源：ChEMBL 靶标：Escherichia coli External Id：CHEMBL3870592

实验名称：Antimicrobial activity against Pseudomonas aeruginosa ATCC 10145 incubated overnight ... 来源：ChEMBL 靶标：Pseudomonas aeruginosa External Id：CHEMBL3870593

实验名称：Cytotoxicity against human A549 cells after 48 hrs by MTT assay 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL3870586

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center External Id：MITF_INH_Alpha_1536_1X%INH PRUN

实验名称：Cytotoxicity against human HT-29 cells after 48 hrs by MTT assay 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL3870587

共12条，当前第1页，共2页

1

2

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。

• 7H-Purine-7-butanenitrile,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo
• 1,3-Dimethyl-1,2,3,6-tetrahydro-2,6-dioxo-7H-purine-7-butanenitrile
• 7-Cyanopropyltheophylline
• 4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanenitrile

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: 88338-88-9的InChIKey是什么？

A: 88338-88-9InChIKey为DJAXYTCEYBZGKN-UHFFFAOYSA-N。

Q: 88338-88-9的极性表面积PSA是多少？

A: 88338-88-9极性表面积PSA为85.61000。

Q: 88338-88-9的沸点是多少？

A: 88338-88-9沸点为532.2ºC at 760 mmHg。

Q: 88338-88-9的分子量是多少？

A: 88338-88-9分子量为247.25300。

Q: 88338-88-9的分子式是什么？

A: 88338-88-9分子式为C11H13N5O2。

Q: 88338-88-9的中文名称是什么？

A: 88338-88-9的中文名称为88338-88-9。

Q: 88338-88-9的SMILES表达式是什么？

A: 88338-88-9SMILES表达式为Cn1c(=O)c2c(ncn2CCCC#N)n(C)c1=O。

Q: 88338-88-9的英文名称是什么？

A: 88338-88-9英文名称为4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile。

Q: 88338-88-9有哪些英文别名？

A: 88338-88-9英文别名有：7H-Purine-7-butanenitrile,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo、 1,3-Dimethyl-1,2,3,6-tetrahydro-2,6-dioxo-7H-purine-7-butanenitrile、 7-Cyanopropyltheophylline、 4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanenitrile。

Q: 88338-88-9的CAS号是多少？

A: 88338-88-9CAS号为88338-88-9。