Cas no 105565-56-8 (1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-)
1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-
- alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol
- ( -)-BMS 14802
- 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
- 1-Piperazinebutanol, alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-
- Bms 181100
- BMY 14802
- Bmy-14802
- α-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol
- (±)-BMY 14802
- BMY-014802
- BMY14802
- 1-PIPERAZINEBUTANOL, .ALPHA.-(4-FLUOROPHENYL)-4-(5-FLUORO-2-PYRIMIDINYL)-
- 1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)butan-1-ol
- BDBM50002238
- 1-(4-Fluoro-phenyl)-4-[4-(4-fluoro-phenyl)-piperazin-1-yl]-butan-1-ol
- SCHEMBL467229
- PDSP1_000017
- BMY-14802-1 Free
- UNII-A5NB5G07JO
- 1-(4-fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)-1-butanol
- (+-)-BMS 14802
- BMS-181100
- 4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol(BMY 14802)
- PDSP2_000017
- A5NB5G07JO
- 105565-56-8
- HY-153091
- BMY-14802, >=97% (HPLC)
- 4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol
- .ALPHA.-(4-FLUOROPHENYL)-4-(5-FLUORO-2-PYRIMIDINYL)-1-PIPERAZINEBUTANOL
- 1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802)
- CHEBI:91549
- GTPL8
- BRD-A15435692-003-01-5
- MS-25366
- alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol
- CS-0650370
- 1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
- DTXSID70909596
- Q4836101
- (R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
- L023990
- CHEMBL60859
- 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-, hydrochloride (1:1);1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-, hydrochloride (1:1)
- (+/-)-BMY-14802
- (S)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
- 1-(4-Fluoro-phenyl)-1-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802)
- ZXUYYZPJUGQHLQ-UHFFFAOYSA-N
- DA-50350
- BRD-A15435692-003-02-3
-
- MDL: MFCD00899512
- Inchi: 1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
- InChI Key: ZXUYYZPJUGQHLQ-UHFFFAOYSA-N
- SMILES: FC1=CN=C(N=C1)N1CCN(CCCC(C2C=CC(=CC=2)F)O)CC1
Computed Properties
- Exact Mass: 348.176
- Monoisotopic Mass: 348.176
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 379
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.2
- Topological Polar Surface Area: 52.5?2
Experimental Properties
- Density: 1.256
- Boiling Point: 520.8°Cat760mmHg
- Flash Point: 268.8°C
- Refractive Index: 1.569
- LogP: 2.39350
1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)- Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- Storage Condition:room temp
1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| 1PlusChem | 1P0098EO-5mg |
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol |
105565-56-8 | 97% | 5mg |
$178.00 | 2023-12-26 | |
| 1PlusChem | 1P0098EO-10mg |
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol |
105565-56-8 | 97% | 10mg |
$278.00 | 2023-12-26 | |
| 1PlusChem | 1P0098EO-25mg |
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol |
105565-56-8 | 97% | 25mg |
$537.00 | 2023-12-26 | |
| 1PlusChem | 1P0098EO-50mg |
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol |
105565-56-8 | 97% | 50mg |
$846.00 | 2023-12-26 | |
| 1PlusChem | 1P0098EO-100mg |
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol |
105565-56-8 | 97% | 100mg |
$1346.00 | 2023-12-26 |
1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)- Related Literature
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Hebaalla Agha,Christopher R. McCurdy RSC Med. Chem. 2021 12 154
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Zeeshan Hafeez,Simon Benoit,Céline Cakir-Kiefer,Annie Dary,Laurent Miclo Food Funct. 2021 12 1415
Additional information on 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-
1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-
The compound with CAS No. 105565-56-8, commonly referred to as 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-, is a complex organic molecule with significant potential in various fields of chemistry and pharmacology. This compound is characterized by its unique structure, which combines a piperazine ring, a butanol chain, and fluorinated aromatic groups. The presence of these functional groups makes it highly versatile and amenable to a wide range of chemical modifications and applications.
Recent studies have highlighted the importance of fluorinated aromatic compounds in drug discovery and development. The 4-fluorophenyl and 5-fluoro-2-pyrimidinyl groups in this molecule are particularly interesting due to their ability to influence the pharmacokinetic properties of the compound. Fluorine substitution is known to enhance lipophilicity and improve the bioavailability of drugs, making this compound a promising candidate for further exploration in medicinal chemistry.
The piperazine ring in the structure is another key feature that contributes to the compound's versatility. Piperazine derivatives are widely used in pharmaceuticals due to their ability to form hydrogen bonds and interact with biological targets. This makes them valuable in the design of drugs targeting various therapeutic areas, including central nervous system disorders, cardiovascular diseases, and cancer.
From a synthetic standpoint, the construction of this compound involves multi-step reactions that require precise control over stereochemistry and regioselectivity. Researchers have employed advanced methodologies such as Suzuki coupling, Stille coupling, and other cross-coupling reactions to synthesize this molecule efficiently. The use of these techniques ensures high yields and excellent purity, which are critical for downstream applications.
In terms of biological activity, 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)- has shown promising results in preliminary assays. Studies have demonstrated its ability to modulate key cellular pathways involved in inflammation, oxidative stress, and apoptosis. These findings suggest that the compound could be developed into a therapeutic agent for conditions such as neurodegenerative diseases or chronic inflammatory disorders.
Moreover, the compound's structure lends itself well to further functionalization. By modifying the substituents on the pyrimidine ring or altering the length of the butanol chain, researchers can explore a wide range of chemical space. This adaptability is crucial for optimizing the compound's pharmacokinetic profile and enhancing its therapeutic potential.
Recent advancements in computational chemistry have also played a pivotal role in understanding the behavior of this compound at the molecular level. Molecular docking studies have provided insights into how the molecule interacts with potential biological targets, such as enzymes or receptors. These computational tools have significantly accelerated the drug discovery process by identifying promising leads for experimental validation.
In conclusion, 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)- represents a valuable addition to the arsenal of compounds being explored for therapeutic applications. Its unique structure, combined with recent advances in synthetic and computational methods, positions it as a strong candidate for further research and development. As ongoing studies continue to uncover its full potential, this compound holds great promise for advancing our understanding of complex biological systems and improving human health.
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