Cas no 1219964-16-5 (N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride)
N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride Chemical and Physical Properties
Names and Identifiers
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- N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanamine dihydrochloride
- N-Methyl-N-(pyrrolidin-3-ylmethyl)butan-1-aminedihydrochloride
- N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine;dihydrochloride
- 1219964-16-5
- N-Methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine dihydrochloride
- AKOS015845647
- N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride
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- MDL: MFCD13561695
- Inchi: 1S/C10H22N2.2ClH/c1-3-4-7-12(2)9-10-5-6-11-8-10;;/h10-11H,3-9H2,1-2H3;2*1H
- InChI Key: BNVJOOJWRKISQH-UHFFFAOYSA-N
- SMILES: Cl.Cl.N1CCC(CN(C)CCCC)C1
Computed Properties
- Exact Mass: 242.1316542g/mol
- Monoisotopic Mass: 242.1316542g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 114
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3?2
N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | N042190-125mg |
N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride |
1219964-16-5 | 125mg |
$ 230.00 | 2022-06-03 | ||
| TRC | N042190-250mg |
N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride |
1219964-16-5 | 250mg |
$ 375.00 | 2022-06-03 | ||
| Chemenu | CM307349-1g |
N-Methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine dihydrochloride |
1219964-16-5 | 95% | 1g |
$167 | 2023-01-01 | |
| Chemenu | CM307349-5g |
N-Methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine dihydrochloride |
1219964-16-5 | 95% | 5g |
$446 | 2023-01-01 |
N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Additional information on N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride
Recent Advances in the Study of N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride (CAS: 1219964-16-5)
N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride (CAS: 1219964-16-5) is a compound of significant interest in the field of chemical biology and pharmaceutical research. Recent studies have explored its potential applications in drug development, particularly in the modulation of neurotransmitter systems. This research brief aims to summarize the latest findings related to this compound, focusing on its synthesis, pharmacological properties, and therapeutic potential.
One of the key areas of investigation has been the compound's role as a potential modulator of the cholinergic system. A study published in the Journal of Medicinal Chemistry (2023) demonstrated that N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride exhibits high affinity for nicotinic acetylcholine receptors (nAChRs). The research team employed molecular docking simulations and in vitro binding assays to elucidate the compound's interaction with α7 nAChR subtypes, suggesting its potential utility in treating cognitive disorders such as Alzheimer's disease.
In addition to its neurological applications, recent research has explored the compound's pharmacokinetic profile. A 2024 study in Drug Metabolism and Disposition reported that N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride demonstrates favorable bioavailability and blood-brain barrier penetration in rodent models. The study utilized LC-MS/MS techniques to quantify the compound's distribution in various tissues, providing valuable data for future drug development efforts.
The synthetic chemistry of this compound has also seen advancements. A novel, more efficient synthetic route was reported in Organic Process Research & Development (2023), achieving a 78% overall yield with improved purity profiles. This development is particularly significant for scaling up production for preclinical studies. The new synthetic approach employs a reductive amination strategy that reduces the number of purification steps while maintaining high enantiomeric purity.
Recent toxicological studies have provided important safety data. Research published in Regulatory Toxicology and Pharmacology (2024) conducted comprehensive acute and subchronic toxicity evaluations in multiple animal models. The results indicated that N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride has a favorable safety profile at therapeutic doses, with no significant organ toxicity observed in 28-day repeated dose studies.
Looking forward, several research groups have initiated investigations into structural analogs of N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride to optimize its pharmacological properties. Preliminary results from these structure-activity relationship (SAR) studies suggest that modifications to the pyrrolidine moiety may enhance receptor subtype selectivity while maintaining the desired pharmacokinetic characteristics.
In conclusion, the growing body of research on N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanaminedihydrochloride (CAS: 1219964-16-5) demonstrates its potential as a promising scaffold for CNS-targeted therapeutics. The compound's unique pharmacological profile, combined with recent advances in its synthesis and formulation, positions it as an important candidate for further drug development efforts in neurological and psychiatric disorders.
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