计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
有货
为什么选择此级别
提供 ≥98% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
室温。常规运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 36 篇同行评审文献引用。
概述
本品为白色或类白色粉末或结晶性粉末；无臭；有引湿性。本品在水或甲醇中极易溶解，在三氯甲烷或乙醚中几乎不溶。本品为一种非离子型水溶性造影剂，碘含量为46.36%。心血管造影、冠状动脉造影、尿路造影、CT增强扫描及脊髓造影等。
Useful as a nonionic density gradient medium.
规格
别名
碘苯六醇 | 5- [N-(2,3-二羟丙基)乙酰氨基] -2,4,6-三碘代-N,N'-双(2,3-二羟丙基)间苯二甲酰胺 | N,N'-双(2,3-二羟基丙基)-5-[N-(2,3-二羟基丙基)乙酰氨基]-2,4,6-三碘异酞酰胺
英文别名
ioexolo | OMNIPAQUE 12 | SR-01000838892 | N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide | Omnipaque 180 | OMNIPAQUE 9 | SCHEMBL26501 | MLS001332586 | Q410683 | Iohexolum [INN-Latin] | Prestwick1_000512 | 1,
规格或纯度
≥98%
英文名称
Iohexol
生化机理
它是一种门诊鞘内注射的安全造影剂。本品为单环非离子型水溶性造影剂。水溶液稳定（优于甲泛葡胺），毒性很小。以原形经肾排出，24小时排出100%。由于渗透压低，毒性小，故可广泛应用于蛛网膜下腔造影。非离子单体三碘化X射线造影剂。密度梯度介质，用于测量体内血液动力学参数。诱导细胞凋亡。口服具有活性
储存条件
室温
运输条件
常规运输
作用机制
诊断剂
备注
如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。
纯度
≥98%
名称和识别符
PubChem SID
EC号
266-164-2
分子类型
小分子
IUPAC Name
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
INCHI
1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
InChi Key
NTHXOOBQLCIOLC-UHFFFAOYSA-N
Smiles
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
Isomeric SMILES
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
分子量
821.14
Beilstein号
2406632
Reaxy-Rn
2406632
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2406632&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 苯类化合物 |
| 类（Class) | 苯及其取代衍生物 |
| 亚类（Subclass） | 苯胺类 |
| 中间层级节点（Intermediate Tree Nodes） | 乙酰苯胺类 - 卤代乙酰苯胺 |
| 直接上位类(Direct Parent) | 邻卤乙酰苯胺 |
| 其他上位类（Alternative Parents） | 对卤乙酰苯胺 碘苯 芳基碘化物 叔羧酸酰胺 乙酰胺 仲醇 炔丙基型1,3-偶极有机化合物 羧酰亚胺酸 伯醇 有机光子化合物 有机氮化合物 有机碘化物 有机氧化物 碳氢化合物衍生物 羰基化合物 |
| 分子骨架（Molecular Framework) | 芳香族同单环化合物 |
| 取代基（Substituents） | 乙酰胺 - 羟基苯甲酸酯 - 芳香族同单环化合物 - 芳基卤化物 - 芳基溴 - 羰基 - 羧酰胺基 - 羧酰亚胺酸 - 羧酰亚胺酸衍生物 - 羧酸衍生物 - 卤苯 - 烃衍生物 - 碘代苯 - O-羟基苯甲酸酯 - 有机1,3-双极性化合物 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机卤化物 - 有机碘化物 - 有机氮化合物 - 有机氧化合物 - 有机氮化合物 - 对-溴苯胺 - 初级醇 - 丙炔型1,3-双极性有机化合物 - 醛基 - 叔羧酸酰胺 |
| 描述（Description） | 该化合物属于邻位卤代乙酰苯胺类有机化合物。这类化合物含有乙酰胺基团与苯基共轭，且苯基在邻位被卤素原子取代。 |
| 外部描述符（External Descriptors） | organoiodine compound - benzenedicarboxamide |
三维结构
交互式化学结构模型
产品属性
| ALogP | -3 |
|---|
关联靶点（人）
ESR1
Tclin
Estrogen receptor alpha
(17718 活性数据)
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
PGR
Tclin
Progesterone receptor
(8562 活性数据)
ADRB2
Tclin
Beta-2 adrenergic receptor
(11824 活性数据)
CHRM2
Tclin
Muscarinic acetylcholine receptor M2
(10671 活性数据)
ADRB1
Tclin
Beta-1 adrenergic receptor
(6630 活性数据)
HTR1A
Tclin
Serotonin 1a (5-HT1a) receptor
(14969 活性数据)
ADRA2A
Tclin
Alpha-2a adrenergic receptor
(9450 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
CHRM1
Tclin
Muscarinic acetylcholine receptor M1
(12690 活性数据)
DRD2
Tclin
Dopamine D2 receptor
(23596 活性数据)
GABRA1
Tclin
GABA receptor alpha-1 subunit
(399 活性数据)
MAOA
Tclin
Monoamine oxidase A
(11911 活性数据)
CNR1
Tclin
Cannabinoid CB1 receptor
(20913 活性数据)
DRD1
Tclin
Dopamine D1 receptor
(9720 活性数据)
PTGS1
Tclin
Cyclooxygenase-1
(9233 活性数据)
SLC6A2
Tclin
Norepinephrine transporter
(10102 活性数据)
HRH2
Tclin
Histamine H2 receptor
(5428 活性数据)
HTR2A
Tclin
Serotonin 2a (5-HT2a) receptor
(14758 活性数据)
HTR2C
Tclin
Serotonin 2c (5-HT2c) receptor
(11471 活性数据)
AVPR2
Tclin
Vasopressin V2 receptor
(2912 活性数据)
ADORA1
Tclin
Adenosine A1 receptor
(17603 活性数据)
AGTR1
Tclin
Type-1 angiotensin II receptor
(5176 活性数据)
SLC6A4
Tclin
Serotonin transporter
(12625 活性数据)
ADRA1A
Tclin
Alpha-1a adrenergic receptor
(8359 活性数据)
PTGS2
Tclin
Cyclooxygenase-2
(13999 活性数据)
HRH1
Tclin
Histamine H1 receptor
(7573 活性数据)
OPRM1
Tclin
Mu opioid receptor
(19785 活性数据)
DRD3
Tclin
Dopamine D3 receptor
(14368 活性数据)
AVPR1A
Tclin
Vasopressin V1a receptor
(5412 活性数据)
OPRD1
Tclin
Delta opioid receptor
(15096 活性数据)
OPRK1
Tclin
Kappa opioid receptor
(16155 活性数据)
HTR3A
Tclin
Serotonin 3a (5-HT3a) receptor
(3366 活性数据)
SLC6A3
Tclin
Dopamine transporter
(10535 活性数据)
GRIN1
Tclin
Glutamate (NMDA) receptor subunit zeta 1
(122 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
CACNA1C
Tclin
Voltage-gated L-type calcium channel alpha-1C subunit
(766 活性数据)
PDE3A
Tclin
Phosphodiesterase 3A
(3309 活性数据)
SLC29A1
Tclin
Equilibrative nucleoside transporter 1
(1711 活性数据)
ADRA2B
Tclin
Alpha-2b adrenergic receptor
(4412 活性数据)
ADRA2C
Tclin
Alpha-2c adrenergic receptor
(4876 活性数据)
CHRM3
Tclin
Muscarinic acetylcholine receptor M3
(7750 活性数据)
HTR2B
Tclin
Serotonin 2b (5-HT2b) receptor
(10323 活性数据)
TBXA2R
Tclin
Thromboxane A2 receptor
(5717 活性数据)
ADORA2A
Tclin
Adenosine A2a receptor
(16305 活性数据)
ADORA3
Tchem
Adenosine A3 receptor
(15931 活性数据)
BDKRB2
Tclin
Bradykinin B2 receptor
(3970 活性数据)
HRH3
Tclin
Histamine H3 receptor
(10389 活性数据)
CHRNA4
Tclin
Neuronal acetylcholine receptor protein alpha-4 subunit
(1265 活性数据)
MC3R
Tchem
Melanocortin receptor 3
(5659 活性数据)
关联靶点（其它种属）
Mc4r
Melanocortin receptor 4 (1205 活性数据)
Npy1r
Neuropeptide Y receptor type 1 (8 活性数据)
Cckar
Cholecystokinin A receptor (90 活性数据)
Pde4d
Phosphodiesterase 4D (4 活性数据)
Plasmodium falciparum (966862 活性数据)
SARS-CoV-2 (38078 活性数据)
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 |
|---|
化学和物理性质
溶解性
Soluble in water (50 mg/ml), methanol, and DMSO.
敏感性
对光线敏感
熔点
180 ℃
分子量
821.100 g/mol
XLogP3
-3.000
氢键供体数Hydrogen Bond Donor Count
8
氢键受体数Hydrogen Bond Acceptor Count
9
可旋转键计数Rotatable Bond Count
12
精确质量Exact Mass
820.88 Da
单同位素质量Monoisotopic Mass
820.88 Da
拓扑极表面积Topological Polar Surface Area
200.000 Ų
重原子数Heavy Atom Count
34
形式电荷Formal Charge
0
复杂度Complexity
653.000
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
3
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）
Merck Index
5052
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
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技术文档和文章
此产品的引用文献
引用文献
| 1. Yijie Wu, Tiantian She, Yunheng Wang, Zhe Xu, Tao Huang, Qiuyi Ji, Haiou Song, Shaogui Yang, Shiyin Li, Shicheng Yan, Limin Zhang, Huan He. (2023) Enhancing cationic superexchange interaction via adjustive lattice distortion in cobalt-based perovskite for improved Fenton-like decontamination. APPLIED CATALYSIS B-ENVIRONMENTAL, [10.1016/j.apcatb.2023.123569] |
| 2. Qiuyi Ji, Pingping Lu, Shuying Li, Yuqi Lai, Jiandong Zhu, Zhe Xu, Gancheng Zuo, Yuan Ding, Shiyin Li, Shaogui Yang, Limin Zhang, Huan He. (2023) Covalent bond enhanced highly stable urea perylene diimide polymer for concurrent photocatalysis-persulfate activation. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2023.126066] |
| 3. Tiantian She, Yijie Wu, Qiuyi Ji, Zhe Xu, Yunheng Wang, Hailong Chu, Yazi Liu, Haiou Song, Shaogui Yang, Shiyin Li, Limin Zhang, Huan He. (2023) Passivating surface states of graphitic carbon nitride for improved photocatalytic Fenton-like decontamination. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2023.125193] |
| 4. Tingting Yu, Tingting Yu, Xiang Zhong, Xiang Zhong, Qihang Yang, Qihang Yang, Chao Gao, Chao Gao, Wenyue Chen, Wenyue Chen, Xiang Liu, Xiang Liu, Zhang Liu, Zhang Liu, Tingting Zhu, Tingting Zhu, Dongyu Li, Dongyu Li, Peng Fei, Peng Fei, Zaozao Chen, Zaozao Chen, Zhongze Gu, Zhongze Gu, Dan Zhu, Dan Zhu. (2023) On-chip clearing for live imaging of 3D cell cultures. Biomedical Optics Express, 14 (6): (3003-3017). [PMID:37342722] [10.1364/BOE.489219] |
| 5. Ning Wang, Wenxuan Li, Tiantian Du, Man Li, Qian Zhao, Mei Li, Hongbo Wang, Li Song. (2023) Degradation of iohexol by potassium ferrate in synthetic water and wastewater effluent: Influencing factors, kinetics, and potential intermediates. Environmental Technology & Innovation, [10.1016/j.eti.2023.103026] |
| 6. Yang Xiao-Yan, Zhang Jin-Guo, Zhou Qiao-Mei, Yu Jie-Ni, Lu Yuan-Fei, Wang Xiao-Jie, Zhou Jia-Ping, Ding Xin-Fa, Du Yong-Zhong, Yu Ri-Sheng. (2022) Extracellular matrix modulating enzyme functionalized biomimetic Au nanoplatform-mediated enhanced tumor penetration and synergistic antitumor therapy for pancreatic cancer. JOURNAL OF NANOBIOTECHNOLOGY, 20 (1): (1-24). [PMID:36496411] [10.1186/s12951-022-01738-6] |
| 7. Hong-Zhe Li, Kai Yang, Hu Liao, Simon Bo Lassen, Jian-Qiang Su, Xian Zhang, Li Cui, Yong-Guan Zhu. (2022) Active antibiotic resistome in soils unraveled by single-cell isotope probing and targeted metagenomics. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 119 (40): (e2201473119). [PMID:36161886] [10.1073/pnas.2201473119] |
| 8. Meng Ren, Na Li, Xuliang Jiang, Xianhe Liu, Aihua Zou. (2022) Efficient oral delivery of water-soluble CT contrast agent using an W1/O/W2 alginate hydrogel matrix. COLLOIDS AND SURFACES B-BIOINTERFACES, [PMID:36201862] [10.1016/j.colsurfb.2022.112862] |
| 9. Yinhao Dai, Chengdu Qi, Hui Cao, Yanni Wen, Yijie Zhao, Chenmin Xu, Shaogui Yang, Huan He. (2022) Enhanced degradation of sulfamethoxazole by microwave-activated peracetic acid under alkaline condition: Influencing factors and mechanism. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2022.120716] |
| 10. Cheng Xinying, Ji Qiuyi, Sun Dunyu, Zhang Jinghua, Chen Xianxian, He Huan, Li Shiyin, Yang Shaogui, Zhang Limin. (2022) A comparative study on adsorption behavior of iodinated X-ray contrast media iohexol and amidotrizoic acid by magnetic-activated carbon. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH, 29 (30): (45404-45420). [PMID:35147873] [10.1007/s11356-022-19127-9] |
| 11. Xie Jun, Zhou Zonglang, Ma Sihan, Luo Xian, Liu Jiajing, Wang Shengyu, Chen Yuqiang, Yan Jianghua, Luo Fanghong. (2021) Facile Fabrication of BiF3: Ln (Ln = Gd, Yb, Er)@PVP Nanoparticles for High-Efficiency Computed Tomography Imaging. Nanoscale Research Letters, 16 (1): (1-10). [PMID:34390420] [10.1186/s11671-021-03591-2] |
| 12. Cheng Wang, Lingyun Wu, Wenxiang Li, Junhao Fei, Jiaqi Xu, Si Chen, Senxiang Yan, Xu Wang. (2021) An injectable double-crosslinking iodinated composite hydrogel as a potential radioprotective spacer with durable imaging function. Journal of Materials Chemistry B, 9 (15): (3346-3356). [PMID:33881426] [10.1039/D0TB02953J] |
| 13. Wang XiuLi, Lu Yinguang, Hua Kunwei, Yang Dezhi, Yang Yaling. (2021) Iodine-doped carbon dots with inherent peroxidase catalytic activity for photocatalytic antibacterial and wound disinfection. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 413 (5): (1373-1382). [PMID:33386935] [10.1007/s00216-020-03100-x] |
| 14. Weiming Xiang, Qiuyi Ji, Chenmin Xu, Yang Guo, Yazi Liu, Dunyu Sun, Wenwu Zhou, Zhe Xu, Chengdu Qi, Shaogui Yang, Shiyin Li, Cheng Sun, Huan He. (2020) Accelerated photocatalytic degradation of iohexol over Co3O4/g-C3N4/Bi2O2CO3 of p-n/n-n dual heterojunction under simulated sunlight by persulfate. APPLIED CATALYSIS B-ENVIRONMENTAL, [10.1016/j.apcatb.2020.119847] |
| 15. Zheng Xiaoke, Li Chenghui, He Yaqin, Wu Lan, Hou Xiandeng. (2020) A novel bi-modal probe based on BaHoF5 and Cu-doped QDs with enhanced CT contrast efficiency and fluorescent brightness for tumor-targeting imaging. MICROCHIMICA ACTA, 187 (5): (1-11). [PMID:32249330] [10.1007/s00604-020-04240-8] |
| 16. Chen-Yan Hu, Yuan-Zhang Hou, Yi-Li Lin, Yan-Guo Deng, Shuang-Jing Hua, Yi-Fan Du, Chiu-Wen Chen, Chung-Hsin Wu. (2019) Investigation of iohexol degradation kinetics by using heat-activated persulfate. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2019.122403] |
| 17. Chen-Yan Hu, Yuan-Zhang Hou, Yi-Li Lin, Yan-Guo Deng, Shuang-Jing Hua, Yi-Fan Du, Chiu-Wen Chen, Chung-Hsin Wu. (2019) Kinetics and model development of iohexol degradation during UV/H2O2 and UV/S2O82− oxidation. CHEMOSPHERE, [PMID:31100631] [10.1016/j.chemosphere.2019.05.012] |
| 18. Xiaoke Zheng, Shanling Wang, Lan Wu, Xiandeng Hou. (2018) Microwave-assisted facile synthesis of mono-dispersed Ba/Ho co-doped nanohydroxyapatite for potential application as binary CT imaging contrast agent. MICROCHEMICAL JOURNAL, [10.1016/j.microc.2018.05.044] |
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