94781-89-2 (1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸,1-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid)

CAS号:
94781-89-2
中文名称:
1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸
英文名称:
1-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
分子式:
C6H5NO4
分子量:
155.108201742172

1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸(94781-89-2)名称与标识符

名称

中文别名:
1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸;
英文别名:
1-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid;1-Hydroxy-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid;1-hydroxy-6-oxopyridine-2-carboxylic acid;2-Pyridinecarboxylic acid, 1,6-dihydro-1-hydroxy-6-oxo-;QJEZBSWVHDOAFS-UHFFFAOYSA-N;6-Hydroxy-2-carboxypyridine 1-oxide;1-Hydroxy-6-carboxy-2(1H)-pyridinone;1-hydroxy-2-pyridinone-6-carboxylic acid;1-Hydroxy-6-carboxy-2 (1H)-pyr;1,6-Dihydro-1-hydroxy-6-oxo-2-pyridinecarboxylic acid (ACI);1,2-Dihydro-1-hydroxy-2-oxopyridine-6-carboxylic acid;1-Hydroxy-2-pyridione-6-carboxylic acid;

标识符

MDL:
MFCD20270107
InChIKey:
QJEZBSWVHDOAFS-UHFFFAOYSA-N
Inchi:
1S/C6H5NO4/c8-5-3-1-2-4(6(9)10)7(5)11/h1-3,11H,(H,9,10)
SMILES:
O=C(C1N(O)C(=O)C=CC=1)O

1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸(94781-89-2)物化性质

实验特性

  • LogP : -0.21620
  • PSA : 79.53000

计算特性

  • 精确分子量 : 155.02200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 重原子数量 : 11
  • 复杂度 : 266
  • 拓扑分子极性表面积 : 77.8

1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸(94781-89-2)安全信息

1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸(94781-89-2)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

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%

1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸(94781-89-2)推荐厂家 更多厂家(17)

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上海瀚思化工有限公司 18939883912
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顾经理 3003949364
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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上海绩祥生物科技有限公司 18605105771李经理 1799924424
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
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上海依赫生物科技有限公司 17721395025
021-68882955
张经理 2423903095
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上海吉至生化科技有限公司 18117592386
021-57481218
吉至试剂 3007522982
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铼博(上海)生化科技有限公司 13311756052
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张经理 2851717387
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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1-羟基-6-氧代-1,6-二氢吡啶-2-羧酸(94781-89-2)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis of chromium(III) complex with 1-hydroxy-2-pyridinone-6-carboxylic acid as insulin-mimetic agent and its spectroscopic and computational studies
Yasarawan, Nuttawisit; Thipyapong, Khajadpai; Sirichai, Somsak; Ruangpornvisuti, Vithaya, Journal of Molecular Structure, 2013, 1031, 144-151
合成路线:1 步
反应条件:
参考文献:
Luminescent 1-hydroxy-2-pyridinone chelates of lanthanides
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis and use of polymeric membrane-supported hydroxypyridinone ligands for chelation of metals from aqueous solutions
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis and use of solid-supported hydroxypyridinone-containing ligands as selective chelating agents for metal ions
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Evaluation of DFO-HOPO as an octadentate chelator for zirconium-89
Allott, L.; Da Pieve, C.; Meyers, J.; Spinks, T.; Ciobota, D. M.; et al, Chemical Communications (Cambridge, 2017, 53(61), 8529-8532
合成路线:1 步
反应条件:
参考文献:
New Insights into Structure and Luminescence of EuIII and SmIII Complexes of the 3,4,3-LI(1,2-HOPO) Ligand
Daumann, Lena J.; Tatum, David S.; Snyder, Benjamin E. R.; Ni, Chengbao; Law, Ga-lai; et al, Journal of the American Chemical Society, 2015, 137(8), 2816-2819
合成路线:1 步
反应条件:
参考文献:
Alternative Chelator for 89Zr Radiopharmaceuticals: Radiolabeling and Evaluation of 3,4,3-(LI-1,2-HOPO)
Deri, Melissa A.; Ponnala, Shashikanth; Zeglis, Brian M.; Pohl, Gabor; Dannenberg, J. J.; et al, Journal of Medicinal Chemistry, 2014, 57(11), 4849-4860
合成路线:1 步
反应条件:
参考文献:
Synthesis and iron chelating properties of hydroxypyridinone and hydroxypyranone hexadentate ligands
Zhou, Tao; Kong, Xiao-Le; Hider, Robert C., Dalton Transactions, 2019, 48(10), 3459-3466
合成路线:1 步
反应条件:
参考文献:
Preparation of heterocyclic compounds as metal chelating compounds for use in treating diseases
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis of novel Iron(III) chelators based on triaza macrocycle backbone and 1-hydroxy-2(H)-pyridin-2-one coordinating groups and their evaluation as antimicrobial agents
Workman, David G.; Hunter, Michael; Dover, Lynn G.; Tetard, David, Journal of Inorganic Biochemistry, 2016, 160, 49-58
合成路线:1 步
反应条件:
参考文献:
Synthesis of a new tetradentate chelator with 1-Hydoroxy-2(1H)-pyridinone (HOPO) as chelating unit: Interaction with Fe(III), solution thermodynamics and DFT studies
Dash, Dibyajit; Baral, Minati; Kanungo, B. K., Journal of Molecular Structure, 2020, 1222,
合成路线:1 步
反应条件:
参考文献:
Preparation of 2-hydroxy-1-oxo-1,2-dihydroisoquinoline chelating agents and their lanthanide complexes with diagnostic and pharmaceutical applications
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis and Initial Evaluation for In Vivo Chelation of Pu(IV) of a Mixed Octadentate Spermine-Based Ligand Containing 4-Carbamoyl-3-hydroxy-1-methyl-2(1H)-pyridinone and 6-Carbamoyl-1-hydroxy-2(1H)-pyridinone
Xu, Jide; Durbin, Patricia W.; Kullgren, Birgitta; Ebbe, Shirley N.; Uhlir, Linda C.; et al, Journal of Medicinal Chemistry, 2002, 45(18), 3963-3971
合成路线:1 步
反应条件:
参考文献:
Iron(iii) and gallium(iii) metal organic polyhedra, methods of making same, and uses thereof
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Zinc-binding groups modulate selective inhibition of MMPs
Agrawal, Arpita; Romero-Perez, Diego; Jacobsen, Jennifer A.; Villarreal, Francisco J.; Cohen, Seth M., ChemMedChem, 2008, 3(5), 812-820
合成路线:1 步
反应条件:
参考文献:
Binding of EuIII to 1,2-hydroxypyridinone-modified peptide nucleic acids
de Leon, Arnie R.; Olatunde, Abiola O.; Morrow, Janet R.; Achim, Catalina, Inorganic Chemistry, 2012, 51(23), 12597-12599
合成路线:1 步
反应条件:
参考文献:
Compositions for therapeutics, targeted pet imaging and methods of their use
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Macrocycles for therapeutic and diagnostic applications
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Preparation of pyran, pyridine and other derivatives and compositions with them for inhibiting influenza RNA polymerase PA subunit endonuclease
, United States, , ,
合成路线:1 步
参考文献:
Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease
Credille, Cy V.; Dick, Benjamin L.; Morrison, Christine N. ; Stokes, Ryjul W.; Adamek, Rebecca N.; et al, Journal of Medicinal Chemistry, 2018, 61(22), 10206-10217