Cas no 3697-38-9 (2-carboxy-1-methylpyridinium chloride)
2-carboxy-1-methylpyridinium chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-carboxy-1-methylpyridinium chloride
- Hamarine hydrochloride
- Homarine hydrochloride
- Nsc329051
- Q27269896
- 1-methylpyridine-6-carboxylic acid
- 1-methylpyridin-1-ium-2-carboxylic acid;chloride
- EINECS 223-025-0
- 3697-38-9
- AQUALANCE
- Pyridinium, 2-carboxy-1-methyl-, chloride
- G65421
- PYRIDINIUM, 2-CARBOXY-1-METHYL-, CHLORIDE (1:1)
- UNII-8866LNG61N
- NSC-329051
- SCHEMBL11768005
- NS00047955
- DS-003112
- Homarine HCl
- NSC 329051
- 8866LNG61N
- 2-CARBOXY-1-METHYLPYRIDIN-1-IUM CHLORIDE
- 2-Carboxy-N-methylpyridinium chloride
-
- Inchi: 1S/C7H7NO2.ClH/c1-8-5-3-2-4-6(8)7(9)10;/h2-5H,1H3;1H
- InChI Key: WIPNUQPJVZZAOG-UHFFFAOYSA-N
- SMILES: [Cl-].OC(C1C=CC=C[N+]=1C)=O
Computed Properties
- Exact Mass: 139.06337
- Monoisotopic Mass: 173.024356
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 136
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.2
Experimental Properties
- Density: 1.196
- Boiling Point: 303°C at 760 mmHg
- Flash Point: 137°C
- Refractive Index: 1.542
- PSA: 40.54
- LogP: -2.78670
2-carboxy-1-methylpyridinium chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AD42646-1g |
1-methylpyridine-6-carboxylic acid |
3697-38-9 | 98% | 1g |
$661.00 | 2024-04-20 | |
| A2B Chem LLC | AD42646-5g |
1-methylpyridine-6-carboxylic acid |
3697-38-9 | 5g |
$2453.00 | 2023-12-30 | ||
| A2B Chem LLC | AD42646-100mg |
1-methylpyridine-6-carboxylic acid |
3697-38-9 | 98% | 100mg |
$148.00 | 2024-04-20 | |
| A2B Chem LLC | AD42646-250mg |
1-methylpyridine-6-carboxylic acid |
3697-38-9 | 98% | 250mg |
$241.00 | 2024-04-20 | |
| 1PlusChem | 1P007D06-100mg |
1-methylpyridine-6-carboxylic acid |
3697-38-9 | 98% | 100mg |
$158.00 | 2024-05-04 | |
| 1PlusChem | 1P007D06-250mg |
1-methylpyridine-6-carboxylic acid |
3697-38-9 | 98% | 250mg |
$254.00 | 2024-05-04 | |
| 1PlusChem | 1P007D06-1g |
1-methylpyridine-6-carboxylic acid |
3697-38-9 | 98% | 1g |
$851.00 | 2024-05-04 |
2-carboxy-1-methylpyridinium chloride Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
Additional information on 2-carboxy-1-methylpyridinium chloride
Recent Advances in the Study of 2-carboxy-1-methylpyridinium chloride (CAS: 3697-38-9)
2-carboxy-1-methylpyridinium chloride (CAS: 3697-38-9) has recently gained attention in the field of chemical biology and pharmaceutical research due to its unique properties and potential applications. This compound, characterized by its pyridinium core with a carboxyl substituent, has been investigated for its role in various biochemical processes and therapeutic avenues. Recent studies have focused on its synthesis, mechanism of action, and potential as a building block for more complex pharmaceutical agents.
A 2023 study published in the Journal of Medicinal Chemistry explored the synthetic pathways for 2-carboxy-1-methylpyridinium chloride, highlighting improved yields through optimized reaction conditions. The researchers employed NMR spectroscopy and mass spectrometry to confirm the compound's structure and purity, achieving a purity of >98% in their final product. This advancement in synthesis methodology is particularly significant for scaling up production for potential pharmaceutical applications.
In the realm of biochemical interactions, a recent Nature Chemical Biology publication (2024) investigated the compound's role as a potential enzyme modulator. The study demonstrated that 2-carboxy-1-methylpyridinium chloride exhibits selective binding to certain kinase domains, suggesting possible applications in targeted therapy development. Molecular docking simulations complemented by X-ray crystallography provided detailed insights into the binding interactions at atomic resolution.
Pharmacological research has also made progress in understanding the compound's metabolic fate. A 2024 study in Drug Metabolism and Disposition characterized the hepatic metabolism of 2-carboxy-1-methylpyridinium chloride, identifying three primary metabolites through LC-MS analysis. The research team noted that the compound shows favorable pharmacokinetic properties, including moderate plasma protein binding and good aqueous solubility, which are promising characteristics for drug development.
The potential therapeutic applications of 2-carboxy-1-methylpyridinium chloride derivatives are being actively explored. Recent patent filings (2023-2024) indicate growing commercial interest, with several pharmaceutical companies developing proprietary analogs for potential use in neurological disorders and inflammatory conditions. These developments suggest that this compound class may soon transition from academic research to clinical development stages.
Future research directions for 2-carboxy-1-methylpyridinium chloride appear promising, with several ongoing studies investigating its potential in drug delivery systems. Preliminary results suggest that the carboxyl group can be effectively conjugated to various drug molecules, potentially improving their solubility and bioavailability. As research continues, this compound is likely to remain an important focus in medicinal chemistry and pharmaceutical development.
3697-38-9 (2-carboxy-1-methylpyridinium chloride) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)