Cas no 853577-50-1 (4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one)
4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Chemical and Physical Properties
Names and Identifiers
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- 4-chloro-1,2-dihydro-3H-Pyrrolo[3,4-c]pyridin-3-one
- 3H-PYRROLO[3,4-C]PYRIDIN-3-ONE, 4-CHLORO-1,2-DIHYDRO-
- 4-chloro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
- 4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
- 3H-Pyrrolo[3,4-c]pyridin-3-one, 4-chloro-1,2-dihydro
- J-512593
- SCHEMBL8289653
- 3h-pyrrolo[3,4-c]pyridin-3-one,4-chloro-1,2-dihydro-
- AKOS015920202
- SY327044
- A863605
- MFCD12924485
- 4-chloro-1H,2H,3H-pyrrolo[3,4-c]pyridin-3-one
- DTXSID90457887
- D96489
- 853577-50-1
- DB-357912
- 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one
-
- MDL: MFCD12924485
- Inchi: 1S/C7H5ClN2O/c8-6-5-4(1-2-9-6)3-10-7(5)11/h1-2H,3H2,(H,10,11)
- InChI Key: QKFIPKNZESNEQL-UHFFFAOYSA-N
- SMILES: ClC1C2C(NCC=2C=CN=1)=O
Computed Properties
- Exact Mass: 168.00900
- Monoisotopic Mass: 168.0090405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 185
- 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: 0.7
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 45.48000
- LogP: 0.98880
4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one 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%
4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 093511-100mg |
4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 95% | 100mg |
£344.00 | 2022-03-01 | |
| Fluorochem | 093511-1g |
4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 95% | 1g |
£667.00 | 2022-03-01 | |
| Alichem | A029188316-100mg |
4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 95% | 100mg |
$229.27 | 2023-08-31 | |
| Alichem | A029188316-250mg |
4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 95% | 250mg |
$354.76 | 2023-08-31 | |
| Alichem | A029188316-1g |
4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 95% | 1g |
$963.54 | 2023-08-31 | |
| Chemenu | CM149270-1g |
4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 95% | 1g |
$1057 | 2021-06-09 | |
| TRC | C422028-10mg |
4-Chloro-1h-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 10mg |
$98.00 | 2023-05-18 | ||
| TRC | C422028-25mg |
4-Chloro-1h-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 25mg |
$190.00 | 2023-05-18 | ||
| TRC | C422028-50mg |
4-Chloro-1h-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 50mg |
$293.00 | 2023-05-18 | ||
| TRC | C422028-100mg |
4-Chloro-1h-pyrrolo[3,4-c]pyridin-3(2H)-one |
853577-50-1 | 100mg |
$414.00 | 2023-05-18 |
4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Suppliers
4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
Additional information on 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one
Recent Advances in the Study of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one (CAS: 853577-50-1)
4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one (CAS: 853577-50-1) is a heterocyclic compound that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential applications in drug discovery and development. This research brief aims to provide an overview of the latest studies and findings related to this compound, focusing on its synthesis, biological activity, and therapeutic potential.
Recent literature highlights the importance of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one as a key intermediate in the synthesis of various pharmacologically active molecules. Studies have demonstrated its utility in the development of kinase inhibitors, which are critical for targeting signaling pathways involved in cancer and inflammatory diseases. The compound's unique structure allows for selective modulation of enzyme activity, making it a valuable scaffold for drug design.
One of the most notable advancements is the optimization of synthetic routes for 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one, which has improved yield and purity. Researchers have employed modern techniques such as microwave-assisted synthesis and flow chemistry to enhance efficiency and reduce environmental impact. These innovations are crucial for scaling up production and facilitating further pharmacological evaluations.
In terms of biological activity, recent in vitro and in vivo studies have explored the compound's potential as an anti-inflammatory and anti-cancer agent. Preliminary results indicate that derivatives of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one exhibit promising inhibitory effects on specific kinases, such as JAK and PI3K, which are implicated in various pathological conditions. These findings underscore the compound's versatility and potential for therapeutic applications.
Furthermore, computational modeling and structure-activity relationship (SAR) studies have provided insights into the molecular interactions of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one with its biological targets. These studies have identified key structural features that contribute to its activity and selectivity, paving the way for the design of more potent and specific analogs.
Despite these promising developments, challenges remain in the clinical translation of 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one-based therapeutics. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed through further research. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to overcome these hurdles and realize the full potential of this compound.
In conclusion, 4-Chloro-1h-pyrrolo3,4-cpyridin-3(2H)-one (CAS: 853577-50-1) represents a promising scaffold in medicinal chemistry with diverse applications. Continued research into its synthesis, biological activity, and therapeutic potential will likely yield significant advancements in drug discovery and development. This brief serves as a foundation for further exploration and discussion within the scientific community.
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