Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504750774 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750774 |
| Canonical Smiles | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC |
| IUPAC Name | 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| InChIKey | UIAGMCDKSXEBJQ-UHFFFAOYSA-N |
| INCHI | 1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3 |
| Isomeric SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC |
| WGK Germany | 1 |
| RTECS | US7975500 |
| Molecular Weight | 418.44 |
| Reaxy-Rn | 459792 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=459792&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Dihydropyridines |
| Direct Parent | Dihydropyridinecarboxylic acids and derivatives |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Enamines Organic oxoazanium compounds Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Amine - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group. |
| External Descriptors | C-nitro compound - diester - dihydropyridine |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 01, 2026 | N129506 | |
| Certificate of Analysis | Jun 01, 2026 | N129506 | |
| Certificate of Analysis | Jun 01, 2026 | N129506 | |
| Certificate of Analysis | Jun 01, 2026 | N129506 | |
| Certificate of Analysis | Jun 01, 2026 | N129506 | |
| Certificate of Analysis | Jan 20, 2026 | N129506 | |
| Certificate of Analysis | Jan 20, 2026 | N129506 | |
| Certificate of Analysis | Mar 27, 2024 | N129506 | |
| Certificate of Analysis | Mar 27, 2024 | N129506 | |
| Certificate of Analysis | Mar 27, 2024 | N129506 | |
| Certificate of Analysis | Feb 06, 2023 | N129506 | |
| Certificate of Analysis | Jun 21, 2021 | N129506 |
| Solubility | Soluble in methanol (62.5 mg/ml), DMSO (25 mg/ml), dioxane, water (24.3 mg/L) at 25 °C, and ethanol (10 mM). Insoluble in 2-hydroxypropyl-b-cyclodextrin. |
|---|---|
| Melt Point(°C) | 125°C |
| Molecular Weight | 418.400 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 418.174 Da |
| Monoisotopic Mass | 418.174 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 736.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Ting Ma, Geng Ou. (2023) Fabrication of a highly sensitive electrochemical sensor for the rapid detection of nimodipine. International Journal of Electrochemical Science, [PMID:] [10.1016/j.ijoes.2023.01.018] |
| 2. Qiyao Wang, Difan Zhang, Jiani Lu, Jiaying Zhang, Zhenquan Xuan, Luyun Gong, Mengxiang Yang, Lingli Jin, Jingyang Le, An Zhu, Hongze Liang, C. Benjamin Naman, Jinrong Zhang, Li Zhao, Shan He, Qinwen Wang, Hao Liu, Xiaojun Yan, Lingling Zhao, Wei Cui. (2022) PLGA-PEG-fucoxanthin nanoparticles protect against ischemic stroke in vivo. Journal of Functional Foods, [PMID:] [10.1016/j.jff.2022.105359] |
| 3. Zhu-Jun Zhong, Zhong-Ping Yao, Zi-Qi Shi, Yang-Dan Liu, Li-Fang Liu, Gui-Zhong Xin. (2021) Measurement of Intracellular Nitric Oxide with a Quantitative Mass Spectrometry Probe Approach. ANALYTICAL CHEMISTRY, [PMID:34107211] [10.1021/acs.analchem.1c01259] |
| 4. Liu Wei, Wang Ruya, Hu Fan, Wu Pinping, Huang Tao, Fizir Meriem, He Hua. (2018) Novel mixed hemimicelles based on nonionic surfactant–imidazolium ionic liquid and magnetic halloysite nanotubes as efficient approach for analytical determination. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 410 (28): (7357-7371). [PMID:30294762] [10.1007/s00216-018-1348-4] |
| 5. Nani Wang, Qiaoyan Zhang, Hailiang Xin, Dan Shou, Luping Qin. (2017) Osteoblast cell membrane chromatography coupled with liquid chromatography and time-of-flight mass spectrometry for screening specific active components from traditional Chinese medicines. JOURNAL OF SEPARATION SCIENCE, 40 (22): (4311-4319). [PMID:28884956] [10.1002/jssc.201700688] |
| 6. Jiale Liu, Kai Liu, Xinyuan Cui, Yujie Ji, Zhaoqi Ding, Zenghui Chang, Junshuo Zhang, Xinyi Wang, Yuanyuan Liu. (2025) From gut to brain: donepezil and nimodipine combination therapy improves cognitive deficits in Alzheimer's disease via gut microbiota and metabolites. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, [PMID:40737743] [10.1016/j.bbrc.2025.152418] |
| 7. Bowen Li, Wentao Yu, Lan Yang. (2023) Osmundacetone Alleviates Cerebral Ischemia–Reperfusion Injury in Rats. BIOLOGICAL & PHARMACEUTICAL BULLETIN, 46 (11): (1527-1534). [PMID:37673653] [10.1248/bpb.b23-00326] |
| 8. Xingfang Zhang, Liang Gao, Jianv Wang, Wei Zhang, Dong Xu, Yanhua Wang, Tianlong Liu, Kai Gao, Zhen Ren, Yi Ding. (2025) Study of the ameliorative effect of β-Bisabolene on ischemic stroke via COX-2 with the Keap1/Nrf2 and MAPK pathways. EUROPEAN JOURNAL OF PHARMACOLOGY, [PMID:40441590] [10.1016/j.ejphar.2025.177773] |
| 9. Lang Liu, Jingyu Weng, Lei Yue, Yuanyuan Qin, Jia Yu, Yaqi Li, Shuming Li, Jiaofeng Wu, Yuangui Yang, Zhishu Tang, Hongbo Xu. (2025) Rosmarinic acid suppresses ferroptosis and confers neuroprotection in cerebral ischemia-reperfusion via direct KEAP1 inhibition and NRF2 activation. FREE RADICAL BIOLOGY AND MEDICINE, [PMID:41167534] [10.1016/j.freeradbiomed.2025.10.291] |
| 10. Lin Tang, Ao Wang, Hecheng Wu, Wenkai Liu, Feng Luo, Jiehua Li, Zhen Li, Hong Tan. (2025) Microphase Structure and Component Influence on Drug Sorption: Polyurethane-Drug Interaction Elucidation in Medical Catheter Systems. ACS Applied Materials & Interfaces, [PMID:41261068] [10.1021/acsami.5c15217] |
| 11. Xiaofeng Wang, Jue Wang, Xia Zhao, Langui Xie, Rui Yang, Chunmeng Sun, Jiasheng Tu, Huimin Sun. (2025) Drug-Dependent Enhancement of Blood–Brain Barrier Permeation by Polysorbate 80 Minor Components. Pharmaceutics, 17 (12): (1572). [PMID:41471087] [10.3390/pharmaceutics17121572] |
| 12. Li Anan, Lu Shijie, Shang Xueqing, Zhang He, Xie Min, Lu Qiao, Hu Yongjun. (2026) Visualizing xenobiotics and metabolites in zebrafish by VUV-laser desorption post-ionization mass spectrometry imaging. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, [PMID:41586896] [10.1007/s00216-026-06344-1] |
| 13. Pongsigeraxi Borjigin, Caixia Deng, Rilaga Su, Juan Li, Ying Ying, Yingsong Chen, Tegexibaiyin Wang. (2026) Pearl Powder Fluorescent Carbon Dots Alleviate Neuroinflammation in Cerebral Ischemia/Reperfusion Through Suppression of Anxa2/NF-κB Signaling Pathway. International Journal of Nanomedicine, [PMID:] [10.2147/IJN.S567974] |
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