Cas no 73661-09-3 (1,4-Naphthalenediol,2-chloro-)
1,4-Naphthalenediol,2-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenediol,2-chloro-
- 2-chloronaphthalene-1,4-diol
- 3-CHLORO-1,4-DIHYDROXYNAPHTHALENE
- 1,4-Naphthalenediol,2-chloro
- 2-Chlor-1,4-naphthohydrochinon
- 2-Chlor-1.4-dihydroxy-naphthalin
- 2-Chlor-naphthalin-1,4-diol
- 2-Chlornaphthohydrochinon
- 2-chloro-1,4-dihydroxynaphthalene
- 2-Chloro-1,4-naphthalenediol
- 2-chloro-naphthalene-1,4-diol
- 73661-09-3
- AT36711
- FT-0692096
- DTXSID30376609
- AKOS006294092
- CS-0529545
- SCHEMBL588770
-
- Inchi: 1S/C10H7ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5,12-13H
- InChI Key: PIYNJSHPUFMGLC-UHFFFAOYSA-N
- SMILES: ClC1=CC(=C2C=CC=CC2=C1O)O
Computed Properties
- Exact Mass: 194.01300
- Monoisotopic Mass: 194.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 186
- 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: 3.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.47
- Boiling Point: 389°C at 760 mmHg
- Flash Point: 189°C
- Refractive Index: 1.728
- PSA: 40.46000
- LogP: 2.90440
1,4-Naphthalenediol,2-chloro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1600209-1g |
2-Chloronaphthalene-1,4-diol |
73661-09-3 | 98% | 1g |
¥2311.00 | 2024-07-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1600209-5g |
2-Chloronaphthalene-1,4-diol |
73661-09-3 | 98% | 5g |
¥6934.00 | 2024-07-28 |
1,4-Naphthalenediol,2-chloro- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
Additional information on 1,4-Naphthalenediol,2-chloro-
Research Briefing on 1,4-Naphthalenediol,2-chloro- (CAS: 73661-09-3) in Chemical Biology and Pharmaceutical Applications
1,4-Naphthalenediol,2-chloro- (CAS: 73661-09-3) is a chlorinated naphthalene derivative that has recently gained attention in chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This compound belongs to the class of naphthalene derivatives, which are known for their diverse biological activities, including antimicrobial, anticancer, and anti-inflammatory effects. The presence of both hydroxyl and chloro substituents on the naphthalene ring system makes this compound particularly interesting for drug discovery and development.
Recent studies have focused on the synthesis and characterization of 1,4-Naphthalenediol,2-chloro- to better understand its chemical properties and biological activities. Advanced spectroscopic techniques, including NMR and mass spectrometry, have been employed to confirm the structure and purity of this compound. Computational chemistry approaches, such as molecular docking and density functional theory (DFT) calculations, have been used to predict its potential binding interactions with biological targets.
In pharmacological research, preliminary in vitro studies have demonstrated that 1,4-Naphthalenediol,2-chloro- exhibits promising activity against certain cancer cell lines, particularly in breast and lung cancer models. The compound appears to induce apoptosis through the mitochondrial pathway, as evidenced by changes in caspase activation and Bcl-2 family protein expression. These findings suggest its potential as a lead compound for developing novel anticancer agents.
The antimicrobial properties of 1,4-Naphthalenediol,2-chloro- have also been investigated, with studies showing moderate activity against Gram-positive bacteria and some fungal strains. Researchers are exploring structure-activity relationships (SAR) to optimize its antimicrobial potency while minimizing potential toxicity to mammalian cells. The chloro substituent at the 2-position appears to play a crucial role in these biological activities.
From a chemical biology perspective, 1,4-Naphthalenediol,2-chloro- has been used as a building block for synthesizing more complex molecules with enhanced biological activities. Recent work has focused on developing derivatives with improved solubility and bioavailability, addressing some of the limitations of the parent compound. These modifications include the introduction of various functional groups at different positions of the naphthalene ring system.
Ongoing research is investigating the potential of 1,4-Naphthalenediol,2-chloro- as a photosensitizer in photodynamic therapy (PDT). Preliminary results indicate that the compound can generate reactive oxygen species (ROS) upon light activation, making it a candidate for developing new PDT agents. This application could be particularly valuable in dermatological treatments and certain types of cancer therapy.
Future research directions for 1,4-Naphthalenediol,2-chloro- include comprehensive toxicological studies, pharmacokinetic profiling, and further optimization of its chemical structure to enhance therapeutic efficacy. The compound's potential as a molecular probe for studying biological processes is also being explored, leveraging its unique chemical properties to investigate cellular pathways and mechanisms.
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