Cas no 1229457-94-6 (4-(4-iodo-1H-pyrazol-1-yl)piperidine)
4-(4-iodo-1H-pyrazol-1-yl)piperidine Chemical and Physical Properties
Names and Identifiers
-
- 4-(4-iodo-pyrazol-1-yl)piperidine
- 4-(4-iodo-1H-pyrazol-1-yl)piperidine
- 4-(4-iodopyrazol-1-yl)piperidine
- DTXCID801323766
- CHEMBL4582543
- SY123306
- 1229457-94-6
- W11562
- DA-22524
- CS-0038566
- DTXSID50893742
- EN300-118521
- MFCD16622252
- AKOS013751441
- EC 639-824-6
- NS00009080
- 4-(4-Iod-1H-pyrazol-1-yl)-piperidine
- SCHEMBL15557166
- BS-41723
- F2167-2824
- 4-(4-Iodo-1-pyrazolyl)piperidine
- 639-824-6
-
- MDL: MFCD16622252
- Inchi: 1S/C8H12IN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2
- InChI Key: GYYVRUODGBPRHC-UHFFFAOYSA-N
- SMILES: IC1C=NN(C=1)C1CCNCC1
Computed Properties
- Exact Mass: 277.00759g/mol
- Monoisotopic Mass: 277.00759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 147
- 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: 0.9
- Topological Polar Surface Area: 29.8?2
4-(4-iodo-1H-pyrazol-1-yl)piperidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD336870-100mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 95+% | 100mg |
¥586.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD336870-250mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 95+% | 250mg |
¥975.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD336870-1g |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 95+% | 1g |
¥2436.0 | 2022-03-01 | |
| TRC | I706528-10mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 10mg |
$ 70.00 | 2022-06-04 | ||
| TRC | I706528-50mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 50mg |
$ 230.00 | 2022-06-04 | ||
| TRC | I706528-100mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 100mg |
$ 340.00 | 2022-06-04 | ||
| Chemenu | CM323865-100mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 95+% | 100mg |
$137 | 2021-08-18 | |
| Chemenu | CM323865-250mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 95+% | 250mg |
$245 | 2021-08-18 | |
| Chemenu | CM323865-1g |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 95+% | 1g |
$572 | 2021-08-18 | |
| ChemScence | CS-0038566-100mg |
4-(4-Iodo-1H-pyrazol-1-yl)piperidine |
1229457-94-6 | 98.83% | 100mg |
$88.0 | 2022-04-28 |
4-(4-iodo-1H-pyrazol-1-yl)piperidine Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on 4-(4-iodo-1H-pyrazol-1-yl)piperidine
Professional Introduction to Compound with CAS No 1229457-94-6 and Product Name: 4-(4-iodo-1H-pyrazol-1-yl)piperidine
The compound with the CAS number 1229457-94-6 and the product name 4-(4-iodo-1H-pyrazol-1-yl)piperidine represents a significant advancement in the field of pharmaceutical chemistry. This heterocyclic compound has garnered considerable attention due to its unique structural properties and potential applications in drug development. The presence of both an iodine substituent and a piperidine ring makes it a versatile scaffold for further chemical modifications, enabling the synthesis of novel molecules with therapeutic relevance.
Recent research in medicinal chemistry has highlighted the importance of pyrazole derivatives in the design of bioactive compounds. The 4-(4-iodo-1H-pyrazol-1-yl)piperidine structure combines the pharmacophoric properties of pyrazole with the lipophilic characteristics of piperidine, making it an attractive candidate for further exploration. Studies have demonstrated that such fused heterocyclic systems can exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, and anticancer effects. The iodine atom at the 4-position of the pyrazole ring serves as a valuable handle for further functionalization via cross-coupling reactions, such as Suzuki-Miyaura or Stille couplings, which are widely employed in modern drug discovery.
In the context of contemporary drug development, 4-(4-iodo-1H-pyrazol-1-yl)piperidine has been investigated for its potential as a precursor in the synthesis of targeted therapeutics. The pyrazole moiety is known to interact with various biological targets, including enzymes and receptors, while the piperidine ring enhances solubility and bioavailability. This combination has led to its incorporation into several lead optimization campaigns aimed at developing small-molecule inhibitors with high selectivity and potency. For instance, derivatives of this compound have shown promise in inhibiting kinases and other enzymes implicated in diseases such as cancer and neurodegeneration.
The structural motif of 4-(4-iodo-1H-pyrazol-1-yl)piperidine also aligns well with current trends in medicinal chemistry toward designing molecules with multiple binding sites or allosteric modulatory capabilities. The flexibility provided by the piperidine ring allows for conformational adjustments that can optimize interactions with biological targets, while the pyrazole ring provides a rigid scaffold for precise docking. This dual functionality has been exploited in the development of dual inhibitors that simultaneously target two different enzymes or pathways, a strategy that often leads to more robust therapeutic outcomes.
Advances in computational chemistry have further facilitated the exploration of 4-(4-iodo-1H-pyrazol-1-yl)piperidine as a pharmacophore. Molecular modeling studies have revealed that this compound can adopt multiple conformations that are compatible with binding to various protein targets. These studies have guided synthetic efforts toward optimizing key pharmacokinetic properties, such as metabolic stability and oral bioavailability. Additionally, virtual screening techniques have been employed to identify novel analogs of this compound that may exhibit enhanced biological activity or reduced toxicity.
The iodine substituent on the pyrazole ring not only serves as a handle for chemical modification but also contributes to the overall electronic properties of the molecule. This feature has been leveraged in designing compounds that exhibit specific interactions with biological targets, such as G-protein coupled receptors (GPCRs) or nuclear receptors. The ability to fine-tune these interactions through structural modifications has made 4-(4-iodo-1H-pyrazol-1-yl)piperidine a valuable building block in fragment-based drug discovery initiatives.
Recent publications have highlighted several examples where derivatives of 4-(4-iodo-1H-pyrazol-1-yl)piperidine have demonstrated significant therapeutic potential. For example, researchers have reported novel inhibitors of cyclin-dependent kinases (CDKs) that incorporate this scaffold and exhibit potent activity against various cancer cell lines. Similarly, studies have shown that modifications to the piperidine ring can enhance binding affinity to specific protein targets while maintaining solubility and pharmacokinetic profiles suitable for clinical development.
The versatility of 4-(4-iodo-1H-pyrazol-1-y)piperidine extends beyond its use as an intermediate in synthesizing bioactive molecules; it also serves as a model system for understanding structure-function relationships in heterocyclic chemistry. By studying how different substituents affect its biological activity, chemists can gain insights into general principles governing molecular recognition and drug design. These insights are crucial for developing new strategies to overcome challenges such as promiscuous binding and off-target effects.
In conclusion, 1229457 -94 -6 4-( 4 - iodo - 1 H - py raz ol - 1 - yl ) piper id ine is a promising compound with significant potential in pharmaceutical research . Its unique structural features make it an excellent candidate for further exploration , offering opportunities to develop novel therapeutics across multiple disease areas . As our understanding of medicinal chemistry continues to evolve , compounds like this will play an increasingly important role in addressing unmet medical needs .
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