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二氯乙酸

24篇引用文献
  • ≥99%
有货

库存信息

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
D305467-100g
 100g 现货 Stock Image
D305467-500g
 500g 现货 Stock Image
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有机酸 (49)
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基本描述

别名 二氯醋酸
英文别名 TF4 | DCA | Dichlorethanoic acid | DTXSID2020428 | NCGC00091444-03 | Dichloressigsaeure | EN300-20014 | NSC2654 | NSC-2654 | Tox21_111133 | 2,2-Dichloroacetic acid | 2,2-dichloro-acetic acid | AKOS005720869 | AS-14228 | BRN 1098596 | CCRIS 4016 | DICHLORO
规格或纯度 ≥99%
英文名称 Dichloroacetic acid
储存温度 2-8°C储存,充氩
运输条件 冰袋运输
产品介绍

应用：

二氯乙酸盐由于其对丙酮酸脱氢酶激酶的抑制作用而被用作药物。它也被用来阻止乳酸的产生以治疗乳酸酸中毒。对儿童来说，治疗乳酸酸中毒是临床上必不可少的。

Dichloroacetic acid is a simple halogenated acetic acid compound with two chlorides at the α-position. Dichloroacetic acid has been demonstrated to inhibit mitochondrial PDK (pyruvate dehydrogenase kinase) and to shift cellular metabolism from glycolysis to glucose oxidation, and these activities have been correlated to interruption of apoptosis resistance in certain cancer cell lines.

A mitochondrial PDK (pyruvate dehydrogenase kinase) inhibitor.Dichloroacetic acid (DCA) can be used as:

·  A reactant in the synthesis of chloroketones by reacting with esters in the presence of LiHMDS via Claisen-type homologation reaction.

·  A structure-directing agent, solvent, or plastdopant for the preparation of different morphologies of polyaniline (PANI). Self-assembling nanostructured PANI may be formed due to the presence of strong hydrogen bonding between DCA and aniline/polyaniline.

Dichloroacetic acid salts are used as drugs due to its inhibition of the enzyme pyruvate dehydrogenase kinase. It is also employed to stem the production of lactic acid to treat lactic acidosis. It is clinically essential in children to treat lactic acidosis.

AI解读

关联靶点（人）

NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSTZ1 Tbio Glutathione S-transferase zeta 1 (4 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDK2 Tchem Pyruvate dehydrogenase kinase isoform 2 (894 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDK3 Tchem Pyruvate dehydrogenase kinase isoform 3 (60 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDK4 Tchem Pyruvate dehydrogenase kinase isoform 4 (177 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A-375 (9258 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DU-145 (51482 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MG-63 (795 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1975 (4994 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1299 (3248 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1650 (1118 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JVM-2 (152 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BEAS-2B (690 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L02 (4864 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Klebsiella pneumoniae (43867 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Salmonella typhimurium (15756 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Acinetobacter baumannii (41033 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cryptococcus neoformans (21258 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida albicans (78123 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
lef Anthrax lethal factor (7585 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pdk1 Pyruvate dehydrogenase kinase (250 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IUPAC Name 2,2-dichloroacetic acid
INCHI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChi Key JXTHNDFMNIQAHM-UHFFFAOYSA-N
Canonical SMILES C(C(=O)O)(Cl)Cl
Isomeric SMILES C(C(=O)O)(Cl)Cl
WGK Germany 2
RTECS AG6125000
PubChem CID 6597
UN Number 1764
Packing Group II
分子量 128.94
Beilstein号 2202
Reaxy-Rn 1098596

化学和物理性质

溶解性 Solubility in water: soluble; Solubility in other solvents: miscible with alcohol, ether and ethanol soluble in acetone
密度 1.563
敏感性 对湿度敏感
凝固点 13 °C
折光率 1.4659
闪点(℃) >112℃
沸点 193-194°C
熔点 9.7°C
分子量 128.940 g/mol
XLogP3 0.900
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 2
可旋转键计数Rotatable Bond Count 1
精确质量Exact Mass 127.943 Da
单同位素质量Monoisotopic Mass 127.943 Da
拓扑极表面积Topological Polar Surface Area 37.300 Ų
重原子数Heavy Atom Count 6
形式电荷Formal Charge 0
复杂度Complexity 60.600
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性（GHS）

一般危化品 一般危化品
象形图 GHS06,   GHS08,   GHS09,   GHS05
信号词 Danger
危险声明

H311: 皮肤接触有毒

H351: 怀疑引起遗传缺陷

H373: 通过长时间或反复暴露对器官造成损害

H314: 造成严重的皮肤灼伤和眼睛损伤

H400: 对水生生物有剧毒

H303: 要是吞了可能有害

H360: 可能损害生育力或未出生的孩子

H290: 可能腐蚀金属

H362: 可能对母乳喂养的孩子造成伤害
预防措施声明

P273: 避免释放到环境中。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P321: 特殊处理（请参阅此标签上的...）。

P405: 密闭存放

P501: 将内容物/容器处理到。。。

P264: 处理后要彻底洗手。

P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。

P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P363: 再次使用之前，请清洗受污染的衣物。

P391: 收集溢出物

P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。

P302+P361+P354: 如果接触皮肤：立即脱掉所有被污染的衣服。立即用水冲洗几分钟。

P316: 立即寻求紧急医疗救助。
WGK Germany 2
RTECS AG6125000
Reaxy-Rn 1098596
Class 8
Merck Index 3050
个人防护装备 Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

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批号(Lot Number) 证书类型 日期 货号
L2404626 分析证书 24-10-28 D305467
L2404646 分析证书 24-10-28 D305467
D2412523 分析证书 24-04-01 D305467
D2412524 分析证书 24-04-01 D305467
I2306406 分析证书 23-07-19 D305467
I2306423 分析证书 23-07-19 D305467
G2315682 分析证书 23-06-29 D305467
G2315686 分析证书 23-06-29 D305467
G2315684 分析证书 23-06-29 D305467
E2330910 分析证书 23-04-13 D305467
E2330914 分析证书 23-04-13 D305467
D2311598 分析证书 23-03-28 D305467
D2311620 分析证书 23-03-28 D305467
H2216302 分析证书 21-10-26 D305467

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此产品的引用文献

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2. Chunge Wu, Yicui Wang, Xuewen Cai, Yao Wu, Erdeng Du, Lu Zheng, Mingguo Peng.  (2024)  Investigating haloacetic acids - human serum albumin interactions: A comprehensive approach using multi-spectroscopy, DFT calculations, and molecular docking.  JOURNAL OF MOLECULAR STRUCTURE,  1299  (137143).  [PMID:16903783] [10.1016/j.molstruc.2023.137143]
3. Fengming Zhao, Lili Zhao, Xinhang Wang, Huadong Hu, Yinghong Zhu, Youqun Chu, Wanli Chen.  (2023)  A Flexible Self-Supported Silver Wire with Nanoporous Skeleton for Electrochemical Sensing of Trichloroacetic Acid.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  170  (10): (106501).  [PMID:25657325] [10.1149/1945-7111/acfa25]
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参考文献

1. Xin He, Hong-Xu Zhou, Xian Fu, Kai-Di Ni, Ai-Zhi Lin, Ling-Tong Zhang, Hou-Hua Yin, Qing Jiang, Xue Zhou, Yi-Wen Meng, Jun-Yan Liu.  (2024)  Metabolomics study reveals increased deoxycholic acid contributes to deoxynivalenol-mediated intestinal barrier injury.  LIFE SCIENCES,  336  (122302).  [PMID:38016577] [10.1016/j.lfs.2023.122302]
2. Chunge Wu, Yicui Wang, Xuewen Cai, Yao Wu, Erdeng Du, Lu Zheng, Mingguo Peng.  (2024)  Investigating haloacetic acids - human serum albumin interactions: A comprehensive approach using multi-spectroscopy, DFT calculations, and molecular docking.  JOURNAL OF MOLECULAR STRUCTURE,  1299  (137143).  [PMID:16903783] [10.1016/j.molstruc.2023.137143]
3. Fengming Zhao, Lili Zhao, Xinhang Wang, Huadong Hu, Yinghong Zhu, Youqun Chu, Wanli Chen.  (2023)  A Flexible Self-Supported Silver Wire with Nanoporous Skeleton for Electrochemical Sensing of Trichloroacetic Acid.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  170  (10): (106501).  [PMID:25657325] [10.1149/1945-7111/acfa25]
4. Jiaben Zhong, Hangyan Zhang, Yina Cai, Xiuping Chen, Zhiyuan Fang, Dun Deng.  (2023)  Rapid and visual detection of dichloroacetonitrile in water.  ANALYST,  148  (21): (5390-5394).  [PMID:37750310] [10.1039/D3AN01282D]
5. Junyan Wei, Shengnan Zhang, Ruixue Guo, Ahmed A. Allam, Jamaan S. Ajarem, Naif G. Altoom, Afzal Ahmed Dar, Ruijuan Qu, Zongli Huo, Feng Zhu.  (2023)  Transformation behavior of the ultraviolet absorbent 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenol (UV328) in polyethylene plastic under chlorination.  Journal of Environmental Chemical Engineering,  11  (110759).  [10.1016/j.jece.2023.110759]
6. Tianyu Zeng, Shuai Wu, Qizhi Liang, Hai Shi, Jue Gong, Ningjun Duan, Wei Li, Genxi Li, Yongmei Yin.  (2023)  A colorimetric biosensor to track Trop-2 status of tumor cells for diagnosis of breast cancer.  SENSORS AND ACTUATORS B-CHEMICAL,  390  (134020).  [10.1016/j.snb.2023.134020]
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