F2206490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
分析标准品 级 ，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 18 篇同行评审文献引用。
概述
研究之用，是所有动物种类的致癌物质，主要的靶器官为鼻穴、气管、肺、食道和肝。也用于有机合成 。
规格
别名
N-二乙基亚硝胺
英文别名
EN300-1296529 | MLS002415760 | RCRA waste number U174 | N,N-diethylnitrous amide | UNII-3IQ78TTX1A | AKOS015903105 | NDEA | AI3-62031 | CCRIS 239 | N-NITROSODIETHYLAMINE [USP-RS] | RCRA waste no. U174 | diethyl(nitroso)amine | N-Nitroso-diaethylamine [Ger
规格或纯度
分析标准品
英文名称
N-Nitrosodiethylamine
储存条件
室温
运输条件
常规运输
名称和识别符
PubChem SID
EC号
200-226-1
分子类型
小分子
IUPAC Name
N,N-diethylnitrous amide
INCHI
1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
InChi Key
WBNQDOYYEUMPFS-UHFFFAOYSA-N
Smiles
CCN(CC)N=O
Isomeric SMILES
CCN(CC)N=O
UN Number
Packing Group
I
分子量
102.14
Beilstein号
1744991
Reaxy-Rn
1744991
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744991&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) | 有机氮化合物 |
| 类（Class) | 有机氮化合物 |
| 亚类（Subclass） | 有机亚硝基化合物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 有机N-亚硝基化合物 |
| 其他上位类（Alternative Parents） | 有机光子化合物 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 脂肪族无环化合物 |
| 取代基（Substituents） | 脂肪族非环化合物 - 烃衍生物 - 有机亚硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机氮化合物 |
| 描述（Description） | 该化合物属于有机化合物中的有机-N-亚硝基化合物类。这类化合物含有-NN=O结构的-N-亚硝基基团。 |
| 外部描述符（External Descriptors） | nitrosamine |
三维结构
交互式化学结构模型
关联靶点（人）
PDE5A
Tclin
Phosphodiesterase 5A
(5113 活性数据)
EGFR
Tclin
Epidermal growth factor receptor erbB1
(33727 活性数据)
CA2
Tclin
Carbonic anhydrase II
(17698 活性数据)
ESR1
Tclin
Estrogen receptor alpha
(17718 活性数据)
HMGCR
Tclin
HMG-CoA reductase
(2475 活性数据)
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
INSR
Tclin
Insulin receptor
(5558 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)
ACE
Tclin
Angiotensin-converting enzyme
(1423 活性数据)
DRD2
Tclin
Dopamine D2 receptor
(23596 活性数据)
TSHR
Tclin
Thyroid stimulating hormone receptor
(29986 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)
DRD4
Tchem
Dopamine D4 receptor
(7907 活性数据)
ACHE
Tclin
Acetylcholinesterase
(18204 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)
ADRA1D
Tclin
Alpha-1d adrenergic receptor
(4171 活性数据)
HTR1B
Tclin
Serotonin 1b (5-HT1b) receptor
(2801 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)
ADORA1
Tclin
Adenosine A1 receptor
(17603 活性数据)
CALCR
Tclin
Calcitonin receptor
(2215 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)
ADRA1B
Tclin
Alpha-1b adrenergic receptor
(2912 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)
SLC6A3
Tclin
Dopamine transporter
(10535 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
HTR4
Tclin
Serotonin 4 (5-HT4) receptor
(2068 活性数据)
ESR2
Tclin
Estrogen receptor beta
(9272 活性数据)
CYSLTR1
Tclin
Cysteinyl leukotriene receptor 1
(2118 活性数据)
ERBB2
Tclin
Receptor protein-tyrosine kinase erbB-2
(7851 活性数据)
CHRM4
Tclin
Muscarinic acetylcholine receptor M4
(6041 活性数据)
CHRM5
Tclin
Muscarinic acetylcholine receptor M5
(4677 活性数据)
关联靶点（其它种属）
Agtr2
Angiotensin II type 2 (AT-2) receptor (803 活性数据)
Mc4r
Melanocortin receptor 4 (1205 活性数据)
Ltc4s
Leukotriene C4 synthase (1 活性数据)
Sigmar1
Sigma opioid receptor (160 活性数据)
Npy1r
Neuropeptide Y receptor type 1 (8 活性数据)
Cckar
Cholecystokinin A receptor (90 活性数据)
Ppard
Peroxisome proliferator-activated receptor delta (358 活性数据)
Nos2
Nitric oxide synthase, inducible (3573 活性数据)
Mapk1
MAP kinase ERK2 (650 活性数据)
Mmp9
Matrix metalloproteinase 9 (38 活性数据)
Plasmodium falciparum (966862 活性数据)
Rattus norvegicus (775804 活性数据)
lef
Anthrax lethal factor (7585 活性数据)
Rorc
Nuclear receptor ROR-gamma (89407 活性数据)
Glra2
Glycine receptor (1745 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
溶于水、醇、醚。
密度
0.95
折光率
1.44
沸点
177°C
分子量
102.140 g/mol
XLogP3
0.500
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
3
可旋转键计数Rotatable Bond Count
2
精确质量Exact Mass
102.079 Da
单同位素质量Monoisotopic Mass
102.079 Da
拓扑极表面积Topological Polar Surface Area
32.700 Ų
重原子数Heavy Atom Count
7
形式电荷Formal Charge
0
复杂度Complexity
51.700
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）
信号词
危险
危险声明
H301: 吞咽会中毒
H350: 可能导致癌症
预防措施声明
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。
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...）。
P330: 漱口
P405: 密闭存放
P501: 将内容物/容器处理到。。。
P203: 使用前，获取、阅读并遵守所有安全说明。
P301+P316: 如果吞咽：立即寻求紧急医疗救助。
P318: 如果暴露或担心，请就医。
WGK Germany
3
RTECS
IA3500000
Class
6.1
Merck Index
6636
个人防护装备
Eyeshields， Faceshields， full-face respirator (US)， Gloves， multi-purpose combination respirator cartridge (US)， type ABEK (EN14387) respirator filter
质检证书（CoA,COO,BSE/TSE 和分析图谱)
技术文档和文章
此产品的引用文献
引用文献
| 1. Chanhao Lei, Zihan Gao, Xingzhi Lv, Yanxue Zhu, Ruifang Li, Sanqiang Li. (2023) Saikosaponin-b2 Inhibits Primary Liver Cancer by Regulating the STK4/IRAK1/NF-κB Pathway. Biomedicines, 11 (10): (2859). [PMID:37893233] [10.3390/biomedicines11102859] |
| 2. Ai Yuan-li, Wang Wei-jia, Liu Fan-jian, Fang Wei, Chen Hang-zi, Wu Liu-zheng, Hong Xuehui, Zhu Yuekun, Zhang Ci-xiong, Liu Long-yu, Hong Wen-bin, Zhou Bo, Chen Qi-tao, Wu Qiao. (2023) Mannose antagonizes GSDME-mediated pyroptosis through AMPK activated by metabolite GlcNAc-6P. CELL RESEARCH, [PMID:37460805] [10.1038/s41422-023-00848-6] |
| 3. Yi Xiao, Haomin Yi, Jingzhi Zhu, Suhua Chen, Guofang Wang, Yilong Liao, Yuanyuan Lei, Liyin Chen, Xingcai Zhang, Fangfu Ye. (2022) Evaluation of DNA adduct damage using G-quadruplex-based DNAzyme. Bioactive Materials, [PMID:36406255] [10.1016/j.bioactmat.2022.10.002] |
| 4. Zhiqin Ding, Mengdie Cai, Weimin Gan, Ping Yuan, Lijun Wei, Xianglei Cheng. (2022) Studies on a novel method for the determination of nitrosamines in food by HPLC-UV-FLD coupling with terbium-doped carbon dots. FOOD CHEMISTRY, [10.1016/j.foodchem.2022.134894] |
| 5. Jian Chen, Kai Chen, Baichuan Han, Yunting Xue, Wanjuan Chen, Zhenzhong Gao, Xianfeng Hou. (2020) A novel single-fluorophore-based ratiometric fluorescent probe for detection of formaldehyde in air. TETRAHEDRON, [10.1016/j.tet.2020.131681] |
| 6. Huang Danping, Li Hanmin, He Qidi, Yuan Weiqu, Chen Zuanguang, Yang Hongzhi. (2018) Developmental Toxicity of Diethylnitrosamine in Zebrafish Embryos/Juveniles Related to Excessive Oxidative Stress. WATER AIR AND SOIL POLLUTION, 229 (3): (1-11). [PMID:29503482] [10.1007/s11270-018-3739-8] |
| 7. Xin Yang, Guang-Yuan Ma, Xiao-Qiang Li, Na Tang, Yang Sun, Xiao-Wei Hao, Ke-Han Wu, Yu-Bo Wang, Wen Tian, Xin Fan, Zezhi Li, Caixia Feng, Xu Chao, Yu-Fan Wang, Yao Liu, Di Li, Wei Cao. (2024) Aldolase A accelerates hepatocarcinogenesis by refactoring c-Jun transcription. Journal of Pharmaceutical Analysis, [PMID:40708574] [10.1016/j.jpha.2024.101169] |
| 8. Jun Yan, Yunfei Zhou, Jianwen Xu, Yihong Dong, Xun Yang, Xinxin Yang, Aodi Wu, Shuyuan Chang, Yumeng Wang, Qingxin Zhang, Tomii Ayaka, Lei Yu, Liuyang Zhao, Hongxue Meng, Dabin Liu. (2024) Delactylation diminished the growth inhibitory role of CA3 by restoring DUOX2 expression in hepatocellular carcinoma. EXPERIMENTAL CELL RESEARCH, [PMID:39710294] [10.1016/j.yexcr.2024.114392] |
| 9. Jiayuan Zhang, Tian Tian, Shanshan Tian, Jinhai Yao, Yingwan Zhang, Rujia Xie, Ting Yang, Bing Han. (2025) Study on the Mechanism of QRICH1 Mediating PRMT1 to Regulate the Arginine Methylation Modification of cGAS to Promote Arsenics-Induced Pyroptosis in Hepatocellular Carcinoma Cells. Journal of Hepatocellular Carcinoma, [PMID:40124968] [10.2147/JHC.S505266] |
| 10. Shuyuan Chang, Ayaka Tomii, Yunfei Zhou, Xun Yang, Yihong Dong, Jun Yan, Aodi Wu, Yumeng Wang, Qingxin Zhang, Hongxue Meng, Lei Yu, Wei Sun, Dabin Liu. (2025) Succinate supplementation alleviates liver cancer by inhibiting the FN1/SQLE axis-mediated cholesterol biosynthesis. iScience, [PMID:39811652] [10.1016/j.isci.2024.111731] |
| 11. Lingli Jiang, Rui Liang, Qing Luo, Zhe Chen, Guanbin Song. (2024) Targeting FTO suppresses hepatocellular carcinoma by inhibiting ERBB3 and TUBB4A expression. BIOCHEMICAL PHARMACOLOGY, [PMID:38906227] [10.1016/j.bcp.2024.116375] |
| 12. Zhang Tingting, Zhao Faming, Zhang Yi, Shi Ji-Hua, Cui Fengzhen, Ma Weixiang, Wang Kai, Xu Chuanrui, Zeng Qingping, Zhong Rong, Li Ningning, Liu Yong, Jin Yang, Sheng Xia. (2024) Targeting the IRE1α-XBP1s axis confers selective vulnerability in hepatocellular carcinoma with activated Wnt signaling. ONCOGENE, [PMID:38418544] [10.1038/s41388-024-02988-4] |
| 13. Chang Chunxiao, Wang Meng, Li Jia, Qi Sihao, Yu Xiaojuan, Xu Jun, Shi Shengbin. (2025) Targeting NOTCH1-KEAP1 axis retards chronic liver injury and liver cancer progression via regulating stabilization of NRF2. JOURNAL OF EXPERIMENTAL & CLINICAL CANCER RESEARCH, 44 (1): (1-31). [PMID:40781716] [10.1186/s13046-025-03488-3] |
| 14. Zhenjie Zheng, Jingxuan Wang, Mengqi Ma, Yunpeng Xu, Da Huang, Jian Wang, Cuiying Lin, Zhenyu Lin, Fang Luo. (2025) Nanoconfined-structured Ru@COF-LZU1 microenvironment facilitated homogeneous electrochemiluminescence biosensor for ultrasensitive N-nitrosodimethylamine detection. SENSORS AND ACTUATORS B-CHEMICAL, [10.1016/j.snb.2025.138456] |
| 15. Fang Wang, Yi-Mei Li, Jing Zhao, Jing Ye, Yuan-Ting Li. (2025) Visualized molecularly-imprinted hydrogel chips for point-of-care SERS assay of N-nitrosodiethylamine contamination in antihypertensive drugs. MICROCHEMICAL JOURNAL, [10.1016/j.microc.2025.115285] |
| 16. Rongqian Zhao, Li Nie, Yu Shi, Lei Jin, Yiran Pan, Xinxin Zhang, Zun Wang, Man He, Gao Zhang, Qingru Yuan, Tian Xia, Shuqing Wang, Jie Yang, Wenxing Yang, Dongzhi Yuan. (2025) High-Fat Diet Promotes Glycolysis in Hepatocellular Carcinoma by Suppressing Hepatic Kisspeptin Signaling in Mice. MOLECULAR CARCINOGENESIS, [PMID:41328591] [10.1002/mc.70068] |
| 17. Yunfei Zhou, Xinxin Yang, Jianwen Xu, Yidi Wu, Yin Fu, Yihong Dong, Xun Yang, Qiang Fu, Chenxu Guo, Yunjing Hou, Shuyuan Chang, Jun Yan, Ju Ran, Yumeng Wang, Qingxin Zhang, Tomii Ayaka, Lei Yu, Feng Geng, Liuyang Zhao, Xiaoyang Hu, Shuijie Li, Hongxue Meng, Dabin Liu. (2025) Post-translational switch of DHCR24 acetylation sustains sterol synthesis and promotes HCC via the 7-ketocholesterol/p62 axis. Cell Reports, 44 (12): [PMID:41348543] [10.1016/j.celrep.2025.116640] |
| 18. Manxin Chen, Haiting Sun, Shunda Zhu, Hang Yu, Yungang Liu. (2026) Potent genotoxicity of phenytoin in adult male C57BL/6J mice, an effect requiring metabolic activation (possibly by Cyp2c enzymes). CHEMICO-BIOLOGICAL INTERACTIONS, [PMID:41819439] [10.1016/j.cbi.2026.112017] |
溶液计算器
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
Copyright © 2023至今 上海阿拉丁生化科技股份有限公司 保留所有权利。
危险品化学品经营许可证（带存储）