Cas no 959241-31-7 (2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine)
2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine Chemical and Physical Properties
Names and Identifiers
-
- (6-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone
- (6-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone
- 2-CHLORO-6-(1-PYRROLIDINYLCARBONYL)PYRAZINE
- 959241-31-7
- CS-0335844
- SCHEMBL22400807
- MFCD09864600
- BS-36390
- AKOS006340218
- DTXSID10651007
- 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine
-
- MDL: MFCD09864600
- Inchi: 1S/C9H10ClN3O/c10-8-6-11-5-7(12-8)9(14)13-3-1-2-4-13/h5-6H,1-4H2
- InChI Key: PTLWXHNMPCCMKS-UHFFFAOYSA-N
- SMILES: ClC1=CN=CC(C(N2CCCC2)=O)=N1
Computed Properties
- Exact Mass: 211.05100
- Monoisotopic Mass: 211.0512396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 46.1?2
Experimental Properties
- PSA: 46.09000
- LogP: 1.30390
2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine Pricemore >>
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2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine Suppliers
2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
Additional information on 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine
Recent Advances in the Study of 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine (CAS: 959241-31-7) in Chemical Biology and Pharmaceutical Research
The compound 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine (CAS: 959241-31-7) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This heterocyclic compound, featuring a pyrazine core substituted with a chloro group and a pyrrolidinylcarbonyl moiety, has been the subject of several studies aimed at exploring its biological activity, synthetic utility, and mechanism of action. In this research briefing, we summarize the latest findings related to this compound, highlighting its role in drug discovery and development.
Recent studies have focused on the synthesis and optimization of 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine as a key intermediate in the development of novel kinase inhibitors. Kinases are a critical target class in oncology and inflammatory diseases, and the structural features of this compound make it a promising scaffold for designing selective inhibitors. Researchers have reported successful modifications of the pyrrolidinylcarbonyl group to enhance binding affinity and selectivity toward specific kinase targets, such as JAK2 and EGFR mutants. These modifications have led to the identification of derivatives with improved pharmacokinetic properties and reduced off-target effects.
In addition to its role in kinase inhibition, 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine has been investigated for its potential as a modulator of protein-protein interactions (PPIs). PPIs are increasingly recognized as important targets in drug discovery, particularly in diseases like cancer and neurodegenerative disorders. A recent study demonstrated that derivatives of this compound can disrupt the interaction between p53 and MDM2, a well-known PPI implicated in tumor suppression. This finding opens new avenues for the development of small-molecule therapeutics targeting PPIs, which have traditionally been considered challenging to modulate.
The pharmacological evaluation of 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine has also revealed its potential in addressing antimicrobial resistance. Preliminary in vitro studies have shown that certain analogs of this compound exhibit potent activity against drug-resistant strains of Staphylococcus aureus and Mycobacterium tuberculosis. Researchers attribute this activity to the compound's ability to interfere with bacterial cell wall synthesis and efflux pump mechanisms. Further optimization of these analogs could lead to the development of next-generation antibiotics with novel mechanisms of action.
From a synthetic chemistry perspective, recent advancements have streamlined the production of 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine and its derivatives. A novel one-pot synthesis method has been reported, significantly improving yield and reducing the number of purification steps required. This methodological improvement is expected to facilitate larger-scale production and accelerate structure-activity relationship (SAR) studies. Additionally, computational modeling approaches have been employed to predict the reactivity and stability of various derivatives, aiding in the rational design of new compounds with enhanced properties.
In conclusion, 2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine (CAS: 959241-31-7) represents a versatile scaffold with multiple applications in drug discovery. Its potential as a kinase inhibitor, PPI modulator, and antimicrobial agent makes it a valuable tool for addressing unmet medical needs. Ongoing research continues to explore its full therapeutic potential, with several derivatives currently in preclinical development. As synthetic methods improve and our understanding of its mechanism of action deepens, this compound is poised to make significant contributions to the field of chemical biology and pharmaceutical sciences.
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