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Merck
CN

22490

Sigma-Aldrich

白屈氨酸 水合物

≥97.0% (dried material, T), ~1 mol/mol water

别名:

4-氧代-1,4-二氢-2,6-吡啶二甲酸 水合物, 4-羟基吡啶-2,6-二羧酸

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关于此项目

经验公式(希尔记法):
C7H5NO5 · xH2O
化学文摘社编号:
分子量:
183.12 (anhydrous basis)
Beilstein:
476229
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案

≥97.0% (dried material, T)

表单

powder

杂质

~1 mol/mol water

mp

267 °C (dec.) (lit.)

官能团

carboxylic acid

SMILES字符串

O.OC(=O)C1=CC(=O)C=C(N1)C(O)=O

InChI

1S/C7H5NO5.H2O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);1H2

InChI key

SNGPHFVJWBKEDG-UHFFFAOYSA-N

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应用

Chelidamic acid hydrate was used in the synthesis of 4-Chloro-N,N,N′,N′-tetraethylpyridine-2,6-dicarboxamide.

生化/生理作用

其属于最有效的“构象受限的谷氨酸类似物”,是谷氨酸脱羧酶抑制剂。

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Anne-Sophie Chauvin et al.
Organic & biomolecular chemistry, 1(4), 737-740 (2003-08-22)
The synthesis of 4-substituted dipicolinic acid derivatives requiring palladium catalysis is described. A keto-enol equilibrium has been observed, depending on the nature of the 2,6-position substituents.
[Use of the radial hemolysis reaction for titrating antirabies sera].
G N Zgurskaia et al.
Voprosy virusologii, 29(3), 360-361 (1984-05-01)
Maya Tutughamiarso et al.
Acta crystallographica. Section C, Crystal structure communications, 68(Pt 9), o344-o350 (2012-09-01)
Different tautomeric and zwitterionic forms of chelidamic acid (4-hydroxypyridine-2,6-dicarboxylic acid) are present in the crystal structures of chelidamic acid methanol monosolvate, C(7)H(5)NO(5)·CH(4)O, (Ia), dimethylammonium chelidamate (dimethylammonium 6-carboxy-4-hydroxypyridine-2-carboxylate), C(2)H(8)N(+)·C(7)H(4)NO(5)(-), (Ib), and chelidamic acid dimethyl sulfoxide monosolvate, C(7)H(5)NO(5)·C(2)H(6)OS, (Ic). While the zwitterionic
Elvir Ramić et al.
The journal of physical chemistry. B, 110(41), 20655-20663 (2006-10-13)
Multifrequency electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) techniques were used to obtain structural information about the copper(II)-chelidamate complex. Well-resolved nitrogen ENDOR spectra could be recorded from solid solution samples by using selective excitation of spin packets.
M Searcey et al.
Anti-cancer drug design, 13(8), 837-855 (1999-05-21)
We have explored the potential antitumour activity of DNA-intercalating free radical generators based on compounds constructed from 9-anilinoacridine and chelidamic acid as an iron (II) binding centre. Here we describe their synthesis, DNA cleaving ability and activity against a panel

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