Cas no 58022-38-1 (4-Chloro-1-methoxyisoquinoline)
4-Chloro-1-methoxyisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-1-methoxyisoquinoline
- 58022-38-1
- G66992
- DTXSID50482216
- SCHEMBL8272616
- DB-195414
-
- Inchi: 1S/C10H8ClNO/c1-13-10-8-5-3-2-4-7(8)9(11)6-12-10/h2-6H,1H3
- InChI Key: RCBQGORSOSQECB-UHFFFAOYSA-N
- SMILES: ClC1=CN=C(C2C=CC=CC=21)OC
Computed Properties
- Exact Mass: 193.02954
- Monoisotopic Mass: 193.0294416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 3
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 22.12
4-Chloro-1-methoxyisoquinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A189004686-1g |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 95% | 1g |
$382.79 | 2023-09-01 | |
| Chemenu | CM143953-1g |
4-chloro-1-methoxyisoquinoline |
58022-38-1 | 95% | 1g |
$439 | 2021-08-05 | |
| Chemenu | CM143953-1g |
4-chloro-1-methoxyisoquinoline |
58022-38-1 | 95% | 1g |
$*** | 2023-05-30 | |
| Crysdot LLC | CD11100542-1g |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 95+% | 1g |
$464 | 2024-07-18 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770770-100mg |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 98% | 100mg |
¥1352.00 | 2024-05-08 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770770-250mg |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 98% | 250mg |
¥2121.00 | 2024-05-08 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770770-1g |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 98% | 1g |
¥5726.00 | 2024-05-08 | |
| 1PlusChem | 1P01ED5U-1g |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 95+% | 1g |
$553.00 | 2023-12-16 | |
| Aaron | AR01EDE6-100mg |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 95% | 100mg |
$153.00 | 2025-02-13 | |
| Aaron | AR01EDE6-250mg |
4-Chloro-1-methoxyisoquinoline |
58022-38-1 | 95% | 250mg |
$259.00 | 2025-02-13 |
4-Chloro-1-methoxyisoquinoline Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Additional information on 4-Chloro-1-methoxyisoquinoline
Recent Advances in the Study of 4-Chloro-1-methoxyisoquinoline (CAS: 58022-38-1) in Chemical Biology and Pharmaceutical Research
4-Chloro-1-methoxyisoquinoline (CAS: 58022-38-1) is a heterocyclic compound that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug discovery. This compound, characterized by its unique isoquinoline scaffold, has been explored for its biological activities, including its role as a building block in the synthesis of more complex pharmacophores. Recent studies have highlighted its utility in the development of kinase inhibitors, antimicrobial agents, and other therapeutic candidates.
One of the key areas of research involving 4-Chloro-1-methoxyisoquinoline is its application in the synthesis of small-molecule inhibitors targeting protein kinases. Kinases play a critical role in cellular signaling pathways, and their dysregulation is often associated with diseases such as cancer and inflammatory disorders. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 4-Chloro-1-methoxyisoquinoline exhibit potent inhibitory activity against specific kinases, such as JAK2 and CDK9, which are implicated in hematologic malignancies and other cancers. The study utilized structure-activity relationship (SAR) analysis to optimize the compound's efficacy and selectivity, paving the way for further preclinical development.
In addition to its role in kinase inhibition, 4-Chloro-1-methoxyisoquinoline has been investigated for its antimicrobial properties. A recent report in Bioorganic & Medicinal Chemistry Letters described the synthesis of novel analogs of this compound and their evaluation against multidrug-resistant bacterial strains. The results indicated that certain derivatives displayed promising activity against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA). These findings suggest that 4-Chloro-1-methoxyisoquinoline could serve as a valuable scaffold for the development of new antibiotics in an era of increasing antimicrobial resistance.
Another noteworthy application of 4-Chloro-1-methoxyisoquinoline is its use in chemical biology as a fluorescent probe or labeling agent. Researchers have exploited its photophysical properties to design probes for studying enzyme activity and protein interactions. For instance, a 2022 study in Chemical Communications reported the development of a 4-Chloro-1-methoxyisoquinoline-based fluorescent probe for real-time monitoring of histone deacetylase (HDAC) activity, a key epigenetic regulator. This innovation provides a powerful tool for understanding HDAC-related diseases and screening potential inhibitors.
Despite these advancements, challenges remain in the optimization of 4-Chloro-1-methoxyisoquinoline derivatives for clinical use. Issues such as solubility, bioavailability, and off-target effects need to be addressed through further medicinal chemistry efforts. Recent computational studies, including molecular docking and dynamics simulations, have provided insights into the binding modes of these compounds with their biological targets, offering a roadmap for future structural modifications.
In conclusion, 4-Chloro-1-methoxyisoquinoline (CAS: 58022-38-1) represents a versatile and promising scaffold in chemical biology and pharmaceutical research. Its applications span from kinase inhibition and antimicrobial therapy to chemical probes for biological studies. Ongoing research efforts are expected to yield more optimized derivatives with enhanced therapeutic potential, positioning this compound as a valuable asset in the quest for novel drugs and diagnostic tools.
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