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4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮

更新时间:2025-08-24 22:05:57

4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮结构式
4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮结构式
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常用名 4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮 英文名 3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-4,6-dimethyl
CAS号 28491-67-0 分子量 163.17700
密度 1.228g/cm3 沸点 262ºC at 760 mmHg
分子式 C8H9N3O 熔点 N/A
MSDS N/A 闪点 112.2ºC

 名称

中文名 4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮
英文名 4,6-dimethyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
英文别名 更多

 物理化学性质

密度 1.228g/cm3
沸点 262ºC at 760 mmHg
分子式 C8H9N3O
分子量 163.17700
闪点 112.2ºC
精确质量 163.07500
PSA 61.80000
LogP 1.28030
InChIKey CMSUKWHWNLICEI-UHFFFAOYSA-N
SMILES Cc1cc(C)c2c(=O)[nH][nH]c2n1
蒸汽压 0.0112mmHg at 25°C
折射率 1.572

 安全信息

海关编码 2933990090

 合成线路

~81%

4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮结构式

4,6-二甲基-1,2-二氢-...

28491-67-0

文献:Kalme, Z. A.; Roloff, B.; Pelcher, Yu. E.; Popelis, Yu. Yu.; Khagen, F.; Dubur, G. Ya Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 9 p. 1031 - 1035 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 9 p. 1218 - 1222

~%

4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮结构式

4,6-二甲基-1,2-二氢-...

28491-67-0

文献:Schmidt et al. Angewandte Chemie, 1958 , vol. 70, p. 344 Full Text Show Details Taylor; Barton Journal of the American Chemical Society, 1959 , vol. 81, p. 2448,2451

~%

4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮结构式

4,6-二甲基-1,2-二氢-...

28491-67-0

文献:Kalme, Z. A.; Roloff, B.; Pelcher, Yu. E.; Popelis, Yu. Yu.; Khagen, F.; Dubur, G. Ya Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 9 p. 1031 - 1035 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 9 p. 1218 - 1222

~19%

4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮结构式

4,6-二甲基-1,2-二氢-...

28491-67-0

文献:Schmidt et al. Angewandte Chemie, 1958 , vol. 70, p. 344 Full Text Show Details Taylor; Barton Journal of the American Chemical Society, 1959 , vol. 81, p. 2448,2451 Full Text Show Details Papini et al. Gazzetta Chimica Italiana, 1954 , vol. 84, p. 769,777

~14%

4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮结构式

4,6-二甲基-1,2-二氢-...

28491-67-0

文献:Balicki, Roman Polish Journal of Chemistry, 1983 , vol. 57, # 10-12 p. 1377 - 1380

 海关

海关编码 2933990090
中文概述 2933990090. 其他仅含氮杂原子的杂环化合物. 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 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 靶点实验

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External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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:High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1149-MLP
实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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 英文别名

3-Oxo-4,6-dimethyl-2,3-dihydro-1H-pyrazolo<3,4-b>pyridin
4,6-dimethyl-3-oxo-2,3-dihydro-1H-pyrazolo<3,4-b>pyridine
4,6-dimethyl-3-oxo-2,3-dihydropyrazolo<3,4-b>pyridine
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