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 |
|---|
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,充氩。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 157 篇同行评审文献引用。
概述
Cetylpyridinium chloride是一种阳离子季铵化合物，作为口咽消毒剂。
Cetylpyridinium chloride is a cationic quaternary ammonium compound used as oropharyngeal antiseptic
规格
别名
西吡氯铵
英文别名
Breath mellow Azalea Peach | Pyrisept | 6BR7T22E2S | Advanced Guard | Colgate Simply Fresh Mint | Multi-Action Antiseptic | SmartMouth Mouthwash | Sprol | Acetoquat CPC | Cetylpyridini chloridum | Cetylpyridinium (chloride) | Cloruro de cetilpiridinio [IN
规格或纯度
≥98%
英文名称
Cetylpyridinium Chloride
生化机理
阳离子季铵盐化合物，用作口咽防腐剂。抗菌谱广，对革兰氏阳性病原体具有快速杀菌作用，对酵母菌具有杀菌作用。用作抗菌口腔漱口液的有效成分。
储存条件
室温,充氩
运输条件
常规运输
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。有毒，请参阅SDS以获取更多信息。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
204-593-9
分子类型
小分子
IUPAC Name
1-hexadecylpyridin-1-ium;chloride
INCHI
1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
InChi Key
YMKDRGPMQRFJGP-UHFFFAOYSA-M
Smiles
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
Isomeric SMILES
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
UN Number
Packing Group
II
分子量
339.991
Reaxy-Rn
3578606
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3578606&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) | 有机杂环化合物 |
| 类（Class) | 吡啶及其衍生物 |
| 亚类（Subclass） | 吡啶衍生物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 吡啶衍生物 |
| 其他上位类（Alternative Parents） | 杂芳族化合物 氮杂环化合物 有机光子化合物 有机氮化合物 有机氯化物盐 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂单环化合物 |
| 取代基（Substituents） | 芳香族杂单环化合物 - 氮杂环 - 杂芳香族化合物 - 烃衍生物 - 有机氯酸盐 - 有机硝基化合物 - 有机盐 - 有机氮化合物 - 有机氮化合物 - 吡啶鎓 |
| 描述（Description） | 该化合物属于吡啶鎓衍生物类有机化合物。这类化合物含有吡啶鎓环，即吡啶的阳离子形式。 |
| 外部描述符（External Descriptors） | chloride salt - organic chloride salt |
三维结构
交互式化学结构模型
关联靶点（人）
VDR
Tclin
Vitamin D receptor
(26531 活性数据)
CASP3
Tchem
Caspase-3
(3632 活性数据)
CASP2
Tchem
Caspase-2
(173 活性数据)
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1
(345557 活性数据)
SMN1
Tchem
Survival motor neuron protein
(34246 活性数据)
HSPA5
Tchem
78 kDa glucose-regulated protein
(3319 活性数据)
USP1
Tchem
Ubiquitin carboxyl-terminal hydrolase 1
(22556 活性数据)
MEN1
Tchem
Menin/Histone-lysine N-methyltransferase MLL
(48157 活性数据)
CUL1
Tbio
NEDD8/Cullin-1
(16 活性数据)
关联靶点（其它种属）
Mapk1
MAP kinase ERK2 (650 活性数据)
Slc5a7
Choline transporter (45 活性数据)
Pseudomonas aeruginosa (123386 活性数据)
Proteus vulgaris (5823 活性数据)
Salmonella typhimurium (15756 活性数据)
Staphylococcus aureus (210822 活性数据)
Staphylococcus epidermidis (22802 活性数据)
Klebsiella aerogenes (4963 活性数据)
Escherichia coli (133304 活性数据)
Proteus mirabilis (3894 活性数据)
Salmonella typhi (4293 活性数据)
Serratia marcescens (3237 活性数据)
Streptococcus mutans (2687 活性数据)
Streptococcus pyogenes (16140 活性数据)
Bacillus subtilis (32866 活性数据)
Saccharomyces cerevisiae (19171 活性数据)
Enterococcus faecalis (29875 活性数据)
Candida albicans (78123 活性数据)
Mus musculus (284745 活性数据)
Mapt
Microtubule-associated protein tau (6 活性数据)
Rorc
Nuclear receptor ROR-gamma (89407 活性数据)
Impa1
Inositol monophosphatase 1 (16203 活性数据)
FTL
Ferritin light chain (43324 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
DMSO,Water,Ethanol
敏感性
对湿度敏感
分子量
340.000 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
1
可旋转键计数Rotatable Bond Count
15
精确质量Exact Mass
339.269 Da
单同位素质量Monoisotopic Mass
339.269 Da
拓扑极表面积Topological Polar Surface Area
3.900 Ų
重原子数Heavy Atom Count
23
形式电荷Formal Charge
0
复杂度Complexity
208.000
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
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
2
安全和危险性（GHS）
信号词
危险
危险声明
H301: 吞咽会中毒
H315: 引起皮肤刺激
H319: 引起严重眼睛刺激
H330: 吸入致命
H410: 对水生生物有剧毒并具有长期持续影响
预防措施声明
P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。
P264: 处理后要彻底洗手。
P270: 使用本产品时，请勿进食、饮水或吸烟。
P271: 仅在室外或通风良好的地方使用。
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。
P284: 如果通风不良，请佩戴呼吸防护装置。
P391: 收集溢出物
P302+P352: 如皮肤沾染：用水充分清洗。
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
P332+P313: 如发生皮肤刺激：求医/就诊。
P337+P313: 如仍觉眼刺激：求医/就诊。
P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。
P405: 密闭存放
P403+P233: 存放在通风良好的地方。保持容器密闭。
P501: 将内容物/容器处理到。。。
P301+P310+P330: 如果吞咽：漱口。立即致电中毒中心/医生。
Class
6.1
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此产品的引用文献
引用文献
| 1. Li Meng, Panpan Zhao, Yucheng Jiang, Jiawen You, Zhiyan Xu, Kui Yu, Aldo R. Boccaccini, Kai Zheng, Junqing Ma. (2023) Extracellular and intracellular effects of bioactive glass nanoparticles on osteogenic differentiation of bone marrow mesenchymal stem cells and bone regeneration in zebrafish osteoporosis model. Acta Biomaterialia, [PMID:38040077] [10.1016/j.actbio.2023.11.037] |
| 2. Xi He, Ruideng Wang, Li Wang, Xinbo Wei, Moyan Zhou, Jiarui Tang, Xin Che, Ruichen Wang, Fang Zhou, Haifeng Liu. (2023) Electrospun photocrosslinkable hydrogel fibrous membrane with metal ion trapping capability as an artificial periosteum to promote bone regeneration. COMPOSITES PART B-ENGINEERING, [10.1016/j.compositesb.2023.111147] |
| 3. Bing Liang, Xiongbin Chen, Min Li, Lingling Zhang, Xia Yang, Liangqin Shi, Yanju Gong, Yuanyuan Gong, Huan Xu, Xiao Wu, Zhong Jin, Yanru Wang, Luwei Liu, Xiaohong Yi, Lushuang Xie, Hua Zhong, Chongyang Shen, Yong Wang, Lan Yang. (2023) Liuwei Dihuang pills attenuate ovariectomy-induced bone loss by alleviating bone marrow mesenchymal stem cell (BMSC) senescence via the Yes-associated protein (YAP)-autophagy axis. PHARMACEUTICAL BIOLOGY, [PMID:38112463] [10.1080/13880209.2023.2291675] |
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| 5. Linli Zhang, Hui Zhang, Hongling Zhou, Yi Tan, Zhengmin Zhang, Wei Yang, Lixing Zhao, Zhihe Zhao. (2023) A Ti3C2 MXene-integrated near-infrared-responsive multifunctional porous scaffold for infected bone defect repair. Journal of Materials Chemistry B, [PMID:37814804] [10.1039/D3TB01578E] |
| 6. Mengxing Ge, Deqiao Xie, Youwen Yang, Huixin Liang, Jiasen Gu, Qiuwei Zhang, Jianling Xie, Zongjun Tian. (2023) Biocompatibility and antibacterial activity of MgO/Ca3(PO4)2 composite ceramic scaffold based on vat photopolymerization technology. Biomaterials Advances, [PMID:37778294] [10.1016/j.bioadv.2023.213644] |
| 7. Yanan Zhang, Junjun Huang, Lingyan Yan, Rong Jia, Jihua Guo. (2023) HnRNP A1 Suppresses the Odontogenic Differentiation and the Inclusion of RUNX2 Exon 5 of Dental Mesenchymal Cells. Frontiers in Bioscience-Landmark, 28 (7): (139). [PMID:37525910] [10.31083/j.fbl2807139] |
| 8. Weifang Zhang, Lvhua Liu, Huang Zhou, Chanjuan He, Xueli Yang, Jingjing Fu, Huaiyu Wang, Ying Liu, Yanyan Zheng. (2023) Surface bisphosphonation of polyetheretherketone to manipulate immune response for advanced osseointegration. MATERIALS & DESIGN, [10.1016/j.matdes.2023.112151] |
| 9. Haiyan Yao, Jiaolong Wang, Yunyun Deng, Zhihua Li, Junchao Wei. (2023) Osteogenic and antibacterial PLLA membrane for bone tissue engineering. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:37406896] [10.1016/j.ijbiomac.2023.125671] |
| 10. Xin Zhang, Fuqiang Zhao, Tingting Ma, Yuanping Zheng, Jun Cao, Chuan Li, Kexue Zhu. (2023) UPLC-Q-TOF/MS-based metabonomics reveals mechanisms for Holothuria leucospilota polysaccharides (HLP)-regulated serum metabolic changes in diabetic rats. Food Chemistry-X, [PMID:37780338] [10.1016/j.fochx.2023.100741] |
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| 16. Lv Silei, Fan Wei, Fan Bing. (2023) Enhanced in vitro antibacterial effect against Enterococcus faecalis by using both low-dose cetylpyridinium chloride and silver ions. BMC Oral Health, 23 (1): (1-10). [PMID:37198581] [10.1186/s12903-023-02972-6] |
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| 18. Hao Wang, Xinyu Xu, Xingyue Wang, Wenrui Qu, Yunan Qing, Shihuai Li, Bo Chen, Boda Ying, Ruiyan Li, Yanguo Qin. (2023) Performance optimization of biomimetic ant-nest silver nanoparticle coatings for antibacterial and osseointegration of implant surfaces. Biomaterials Advances, [PMID:37001309] [10.1016/j.bioadv.2023.213394] |
| 19. Zhijing He, Chen Jiao, Junnan Wu, Jiasen Gu, Huixin Liang, Lida Shen, Youwen Yang, Zongjun Tian, Changjiang Wang, Qing Jiang. (2023) Zn-doped chitosan/alginate multilayer coatings on porous hydroxyapatite scaffold with osteogenic and antibacterial properties. International Journal of Bioprinting, [PMID:37065667] [10.18063/ijb.v9i2.668] |
| 20. Yu Qin, Run-Qin Wang, Rong-Rong Xing, Li Yang, Xuan Chen, Shuang Hu. (2023) Dispersive liquid-liquid microextraction based on a supramolecular solvent followed by high-performance liquid chromatographic analysis of lignans in Forsythiae Fructus. JOURNAL OF SEPARATION SCIENCE, 46 (5): (2200719). [PMID:36597011] [10.1002/jssc.202200719] |
| 21. Huihui Wang, Xiangfeng Li, Sike Lai, Quanle Cao, Yunyi Liu, Jian Li, Xiangdong Zhu, Weili Fu, Xingdong Zhang. (2022) Construction of Vascularized Tissue Engineered Bone with nHA-Coated BCP Bioceramics Loaded with Peripheral Blood-Derived MSC and EPC to Repair Large Segmental Femoral Bone Defect. ACS Applied Materials & Interfaces, [PMID:36548196] [10.1021/acsami.2c15000] |
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| 24. Yu Li, Zhan-Zhao Zhang. (2022) Sustained curcumin release from PLGA microspheres improves bone formation under diabetic conditions by inhibiting the reactive oxygen species production. Drug Design Development and Therapy, [PMID:29872268] [10.2147/DDDT.S154334] |
| 25. Lulu Wang, Mingkui Shen, Qiaodan Hou, Zimei Wu, Jing Xu, Lin Wang. (2022) 3D printing of reduced glutathione grafted gelatine methacrylate hydrogel scaffold promotes diabetic bone regeneration by activating PI3K/Akt signaling pathway. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:36181886] [10.1016/j.ijbiomac.2022.09.236] |
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| 27. Ya Song, Xiang Long, Zhihong Luo, Chong Guo, Chuan-Nan Geng, Quan-Sheng Ouyang, Zhiyuan Han, Guangmin Zhou, Jiao-Jing Shao. (2022) Solid Carbon Spheres with Interconnected Open Pore Channels Enabling High-Efficient Polysulfide Conversion for High-Rate Lithium–Sulfur Batteries. ACS Applied Materials & Interfaces, [PMID:35818716] [10.1021/acsami.2c09331] |
| 28. Liang Chen, Guoping Cheng, Shu Meng, Yi Ding. (2022) Collagen Membrane Derived from Fish Scales for Application in Bone Tissue Engineering. Polymers, 14 (13): (2532). [PMID:35808577] [10.3390/polym14132532] |
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本产品的 CAS 号为 123-03-5，分子式为 C21H38N.Cl，分子量为 339.991 g/mol。InChIKey YMKDRGPMQRFJGP-UHFFFAOYSA-M。
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