Cas no 1173081-96-3 (3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride)
3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one hydrochloride
- (4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methanaminium chloride
- 2(1H)-Pyridinone,3-(aminomethyl)-4,6-dlmethyl-,hydrochloride
- 3-(Aminomethyl)-4,6-dimethyl-1h-pyridin-2-one hydrochloride
- 3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
- 3-(AMinoMethyl)-4,6-diMethyl-1h-pyridin-2-one, HCl
- 3-(aminomethyl)-4,6-dimethyl-2(1H)-pyridinone hydrochloride
- 3-(AMINOMETHYL)-4,6-DIMETHYLPYRIDIN-2(1H)-ONE HCL
- AC1Q39EF
- AG-A-53476
- AK110514
- CTK6B4399
- SureCN1694763
- 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one HCl
- ZMDPNGUJHPRAMG-UHFFFAOYSA-N
- CM11020
- PB10649
- SY031441
- AM803009
- AB0078659
- Z782
- 2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl-, hydrochloride (1:1)
- H10959
- 3-aminomethyl-4,6-dimethyl-pyridin-2-ol hydrochloride
- AKOS016008813
- DA-25021
- 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-onehydrochloride
- 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one HCl Salt
- 2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl-, hydrochloride
- 1173081-96-3
- 3-(aminomethyl)-4,6-dimethyl-2(1H)-pyridinone HCl
- EN300-14701
- 3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one--hydrogen chloride (1/1)
- DS-4627
- 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-one, hydrochloride
- CS-0046808
- SCHEMBL1694763
- 3-(aminomethyl)-4,6-dimethyl-2(1H)-pyridinone HCl salt
- 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
- 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-one hydrochloride salt
- MFCD09053337
- YWB08196
- 3-aminomethyl-4,6-dimethyl-1H-pyridin-2-one hydrochloride
- 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-one hydrochloride, AldrichCPR
- DTXSID00656384
- 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
-
- MDL: MFCD09053337
- Inchi: 1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
- InChI Key: ZMDPNGUJHPRAMG-UHFFFAOYSA-N
- SMILES: Cl.O=C1C(CN)=C(C)C=C(C)N1
Computed Properties
- Exact Mass: 188.07200
- Monoisotopic Mass: 188.0716407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 55.1
Experimental Properties
- Melting Point: 312-315 oC
- PSA: 59.14000
- LogP: 2.36500
3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride Pricemore >>
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3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
Additional information on 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
Professional Introduction to 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride (CAS No. 1173081-96-3)
3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride, identified by the Chemical Abstracts Service Number (CAS No.) 1173081-96-3, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the pyridinone class, a heterocyclic structure known for its diverse biological activities and potential therapeutic applications. The presence of an aminomethyl substituent and a hydrochloride salt form enhances its solubility and bioavailability, making it a promising candidate for further investigation in drug development.
The molecular framework of 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride incorporates multiple functional groups that contribute to its unique chemical properties. The 4,6-dimethyl substitution pattern influences the electronic distribution within the ring system, potentially modulating reactivity and interaction with biological targets. The dihydropyridinone core is particularly noteworthy, as it shares structural similarities with established pharmacophores found in various therapeutic agents. This similarity suggests that 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride may exhibit pharmacological effects comparable to those of known drugs, though its specific mechanisms remain to be fully elucidated.
In recent years, there has been growing interest in exploring novel heterocyclic compounds for their potential applications in treating various diseases. Pyridinone derivatives have been extensively studied due to their ability to interact with biological macromolecules such as enzymes and receptors. The aminomethyl group in 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride provides a site for further functionalization, enabling the synthesis of analogs with tailored properties. Such modifications can enhance binding affinity or selectivity, which are critical factors in drug design.
One of the most compelling aspects of this compound is its potential role in modulating cellular processes through interaction with specific biological targets. Preliminary studies have suggested that derivatives of dihydropyridinone can influence enzyme activity and signal transduction pathways. For instance, some pyridinone compounds have been shown to inhibit kinases or other enzymes involved in inflammation and cancer progression. While the exact targets of 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride have not yet been definitively identified, its structural features suggest that it may have similar inhibitory effects.
The hydrochloride salt form of this compound enhances its pharmacokinetic profile by improving solubility in aqueous environments. This property is particularly advantageous for drug formulation, as it allows for easier administration via oral or intravenous routes. Additionally, the stability of the hydrochloride salt ensures that the active compound remains intact during storage and transport, maintaining its efficacy for therapeutic use.
Recent advancements in computational chemistry have enabled researchers to predict the biological activity of compounds like 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride with greater accuracy. Molecular docking studies can simulate interactions between this compound and potential target proteins, providing insights into its mechanism of action. These computational approaches are complemented by experimental validation techniques such as enzyme assays and cell-based assays. By combining computational predictions with empirical data, scientists can accelerate the discovery process and identify promising candidates for further development.
The pharmaceutical industry continues to seek innovative compounds that address unmet medical needs. 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride represents a valuable addition to the arsenal of potential therapeutic agents under investigation. Its unique structural features and favorable pharmacokinetic properties make it an attractive candidate for further exploration in preclinical studies. As research progresses, additional insights into its biological activity and potential therapeutic applications will continue to emerge.
In conclusion,3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride (CAS No. 1173081-96-3) is a compound with significant promise in pharmaceutical chemistry. Its structural characteristics and potential biological activities position it as a compelling candidate for drug development efforts aimed at addressing various diseases. Continued research into this compound will likely yield valuable insights into its mechanisms of action and therapeutic potential.
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