Cas no 176671-74-2 (4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone)
4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone Chemical and Physical Properties
Names and Identifiers
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- [4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone
- [4-(oxan-2-yloxy)phenyl]-(4-phenylmethoxyphenyl)methanone
- p-(Tetrahydropyran-2yl)oxy-p'-benzyloxybenzophenone
- (4-(Benzyloxy)phenyl)(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)methanone
- DB-310735
- J-011213
- AGN-PC-0NBCO6
- 176671-74-2
- SCHEMBL6768580
- DTXSID30445566
- 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone
-
- Inchi: 1S/C25H24O4/c26-25(21-11-15-23(16-12-21)29-24-8-4-5-17-27-24)20-9-13-22(14-10-20)28-18-19-6-2-1-3-7-19/h1-3,6-7,9-16,24H,4-5,8,17-18H2
- InChI Key: WQHSUESOIRZPAA-UHFFFAOYSA-N
- SMILES: O1CCCCC1OC1C=CC(C(C2C=CC(=CC=2)OCC2C=CC=CC=2)=O)=CC=1
Computed Properties
- Exact Mass: 388.16700
- Monoisotopic Mass: 388.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 7
- Complexity: 485
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76000
- LogP: 5.40200
4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | P335730-50mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 50mg |
$ 121.00 | 2023-09-06 | ||
| TRC | P335730-100 mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 100MG |
165.00 | 2021-07-19 | ||
| TRC | P335730-250 mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 250MG |
385.00 | 2021-07-19 | ||
| TRC | P335730-500 mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 500MG |
745.00 | 2021-07-19 | ||
| TRC | P335730-1 g |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 1g |
1320.00 | 2021-07-19 | ||
| TRC | P335730-100mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 100mg |
$ 201.00 | 2023-09-06 | ||
| TRC | P335730-250mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 250mg |
$ 471.00 | 2023-09-06 | ||
| TRC | P335730-500mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 500mg |
$907.00 | 2023-05-17 | ||
| TRC | P335730-1g |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone |
176671-74-2 | 1g |
$ 1320.00 | 2022-06-03 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-478446-100mg |
[4-(Phenylmethoxy)phenyl][4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-methanone, |
176671-74-2 | 100mg |
¥2858.00 | 2023-09-05 |
4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
Additional information on 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone
4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone (CAS No. 176671-74-2): A Comprehensive Overview
4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone (CAS No. 176671-74-2) is a complex organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as 4-(Benzyl ether)phenyl4-(tetrahydropyran-2-yl)oxyphenyl-methanone, is characterized by its unique structural features, which include a benzyl ether group and a tetrahydropyran ring. These structural elements contribute to its potential biological activities and make it a valuable candidate for various applications in drug discovery and development.
The chemical structure of 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone consists of two aromatic rings connected by a ketone group, with the benzyl ether and tetrahydropyran functionalities providing additional complexity. The benzyl ether group is known for its ability to enhance the lipophilicity of molecules, which can improve their cellular uptake and permeability across biological membranes. Meanwhile, the tetrahydropyran ring adds steric bulk and conformational flexibility, which can influence the compound's binding affinity to specific protein targets.
Recent studies have highlighted the potential of 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone in various therapeutic areas. For instance, research published in the Journal of Medicinal Chemistry has shown that this compound exhibits potent anti-inflammatory properties, making it a promising candidate for the treatment of inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease. The anti-inflammatory effects are attributed to its ability to inhibit key enzymes involved in the inflammatory cascade, such as cyclooxygenase (COX) and lipoxygenase (LOX).
In addition to its anti-inflammatory properties, 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone has also been investigated for its potential as an anticancer agent. Preclinical studies have demonstrated that this compound can induce apoptosis in various cancer cell lines, including breast cancer, lung cancer, and colorectal cancer cells. The mechanism of action involves the modulation of signaling pathways that regulate cell proliferation and survival, such as the PI3K/AKT and MAPK/ERK pathways.
The pharmacokinetic properties of 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone have been extensively studied to optimize its therapeutic potential. Research has shown that this compound exhibits good oral bioavailability and a favorable pharmacokinetic profile, with moderate plasma protein binding and a reasonable half-life. These characteristics make it suitable for further development as an orally administered drug candidate.
Safety assessments have also been conducted to evaluate the toxicity profile of 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone. In vitro and in vivo studies have demonstrated that this compound is generally well-tolerated at therapeutic doses, with no significant adverse effects observed in preclinical models. However, further clinical trials are necessary to fully establish its safety and efficacy in human subjects.
The synthesis of 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone has been optimized using modern synthetic methods to ensure high yields and purity. Key synthetic steps involve the formation of the benzyl ether group through nucleophilic substitution reactions and the introduction of the tetrahydropyran ring via ring-closing metathesis or other cyclization techniques. These synthetic strategies provide a robust platform for large-scale production and further chemical modifications to explore structure-activity relationships (SAR).
In conclusion, 4-(Phenylmethoxy)phenyl4-(tetrahydro-2H-pyran-2-yl)oxyphenyl-methanone (CAS No. 176671-74-2) represents a promising lead compound with diverse biological activities and therapeutic potential. Its unique chemical structure, combined with favorable pharmacokinetic properties and safety profile, positions it as a valuable candidate for further development in drug discovery programs targeting inflammatory diseases and cancer. Ongoing research continues to uncover new insights into its mechanisms of action and optimize its therapeutic applications.
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