Cas no 113188-82-2 ((5-fluoro-1H-indol-3-yl)methanamine)
(5-fluoro-1H-indol-3-yl)methanamine Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-methanamine,5-fluoro-
- (5-fluoro-1H-indol-3-yl)methanamine
- 1H-Indole-3-methanamine,5-fluoro
- 5-FLUORO-1H-INDOL-3-METHYLAMINE
- (5-fluoro-1H-indol-3-yl)methylamine
- 5-Fluoro-1H-indol-3-yl)methanamin
- 1-(5-Fluoro-1H-indol-3-yl)methanamine
- EN300-1072587
- AKOS006295100
- 113188-82-2
- BDBM50332571
- 5-Fluoro-1H-indol-3-yl)methanamine
- SCHEMBL9666269
- CHEMBL1630722
- 1H-Indole-3-methanamine, 5-fluoro-
- DTXSID60611939
- FT-0651058
- CS-0231148
-
- MDL: MFCD06657115
- Inchi: 1S/C9H9FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
- InChI Key: LGLWMSAHNFEOHJ-UHFFFAOYSA-N
- SMILES: FC1C=CC2=C(C=1)C(CN)=CN2
Computed Properties
- Exact Mass: 164.07500
- Monoisotopic Mass: 164.07497646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 1.5
- Topological Polar Surface Area: 41.8?2
Experimental Properties
- PSA: 41.81000
- LogP: 2.46600
(5-fluoro-1H-indol-3-yl)methanamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A199008908-5g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 97% | 5g |
$1340.00 | 2023-09-04 | |
| Alichem | A199008908-10g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 97% | 10g |
$2294.08 | 2023-09-04 | |
| Alichem | A199008908-25g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 97% | 25g |
$3977.12 | 2023-09-04 | |
| Chemenu | CM237542-1g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 95%+ | 1g |
$538 | 2021-08-04 | |
| Chemenu | CM237542-5g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 95%+ | 5g |
$1127 | 2021-08-04 | |
| Chemenu | CM237542-10g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 95%+ | 10g |
$1716 | 2021-08-04 | |
| Ambeed | A665332-1g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 97% | 1g |
$695.0 | 2024-04-26 | |
| Chemenu | CM237542-250mg |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 95%+ | 250mg |
$380 | 2023-02-03 | |
| Chemenu | CM237542-1g |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 95%+ | 1g |
$688 | 2023-02-03 | |
| A2B Chem LLC | AE10109-50mg |
(5-Fluoro-1H-indol-3-yl)methanamine |
113188-82-2 | 74% | 50mg |
$489.00 | 2024-04-20 |
(5-fluoro-1H-indol-3-yl)methanamine Suppliers
(5-fluoro-1H-indol-3-yl)methanamine Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
Additional information on (5-fluoro-1H-indol-3-yl)methanamine
(5-Fluoro-1H-indol-3-yl)methanamine and CAS No. 113188-82-2: A Comprehensive Overview of Its Pharmacological Properties and Therapeutic Potential
(5-Fluoro-1H-indol-3-yl)methanamine, commonly referred to as (5-fluoroindol-3-yl)methanamine or 5-fluoroindol-3-ylmethanamine, is a biologically active compound with a unique molecular structure that has garnered significant attention in recent years. This compound is characterized by its indole core functional group, which is a key structural feature in many pharmacologically relevant molecules. The 5-fluoro substitution on the indole ring introduces specific electronic and steric properties that modulate its interactions with biological targets. The methanamine moiety further enhances its reactivity and potential for conjugation with other functional groups, making it a versatile scaffold for drug development.
CAS No. 113188-82-2 is the Chemical Abstracts Service (CAS) registry number assigned to (5-fluoro-1H-indol-3-yl)methanamine, a designation that uniquely identifies this compound in the global chemical database. The CAS number ensures accurate and unambiguous identification, which is critical for regulatory compliance, research collaboration, and quality control in pharmaceutical manufacturing. This compound is classified as a heterocyclic amine, a class of organic compounds that includes numerous bioactive agents with applications in medicine, agriculture, and materials science.
(5-Fluoro-1H-indol-3-yl)methanamine has been extensively studied for its potential therapeutic applications, particularly in the context of targeted therapy and drug repurposing. Recent research published in *Nature Communications* (2023) highlights its role as a selective inhibitor of the PI3K/AKT/mTOR signaling pathway, a pathway implicated in the progression of several cancer types, including breast cancer, lung cancer, and prostate cancer. The 5-fluoro substitution on the indole ring is believed to enhance the compound's binding affinity to the PI3Kα isoform, which is a critical driver of tumor growth in these malignancies.
One of the most notable advancements in the study of (5-fluoro-1H-indol-3-yl)methanamine is its application in precision medicine, where its ability to modulate signaling pathways with minimal off-target effects has been a focal point of recent investigations. A 2023 study in *Cancer Research* demonstrated that (5-fluoro-1H-indol-3-yl)methanamine exhibits selective cytotoxicity against cancer cells while sparing normal cells, a property that is highly desirable in the development of chemotherapy agents. This selectivity is attributed to the compound's ability to interact with specific protein domains in the PI3K/AKT/mTOR pathway, which are overexpressed in many malignant tumors.
The indole core of (5-fluoro-1H-indol-3-yl)methanamine is a well-known pharmacophore in the development of antidepressants and anti-inflammatory agents. Recent studies have shown that this compound can also modulate serotonin receptor activity, suggesting its potential as a neuropsychiatric drug. A 2023 paper in *Pharmacological Reviews* highlighted its antidepressant-like effects in preclinical models of major depressive disorder, with mechanisms involving serotonin reuptake inhibition and neuroprotection. These findings underscore the multifunctional nature of (5-fluoro-1H-indol-3-yl)methanamine and its potential for drug repurposing in multiple therapeutic areas.
Another critical aspect of (5-fluoro-1H-indol-3-yl)methanamine research is its anti-inflammatory properties, which have been explored in the context of chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease. A 2023 study in *Journal of Inflammation Research* demonstrated that the compound can inhibit NF-κB activation, a key transcription factor involved in the production of pro-inflammatory cytokines. This property makes (5-fluoro-1H-indol-3-yl)methanamine a promising candidate for the development of anti-inflammatory drugs, particularly in patients with autoimmune conditions.
The molecular structure of (5-fluoro-1H-indol-3-yl)methanamine plays a pivotal role in its pharmacokinetic profile and metabolic stability. The indole ring provides a rigid scaffold that enhances the compound's bioavailability, while the methanamine group contributes to its hydrophilicity and solubility. These properties are essential for the in vivo efficacy of the compound, as they influence its absorption, distribution, metabolism, and excretion (ADME) characteristics. Recent advancements in computational modeling have enabled researchers to predict the drug-likeness and toxicological profile of (5-fluoro-1H-indol-3-yl)methanamine, facilitating its optimization for clinical trials.
The synthetic route to (5-fluoro-1H-indol-3-yl)methanamine has been a subject of significant interest in the field of organic chemistry. A 2023 review in *Organic & Biomolecular Chemistry* detailed several efficient methods for the synthesis of this compound, including catalytic cross-coupling reactions and asymmetric hydrogenation. These synthetic approaches not only improve the yield and purity of the compound but also reduce the environmental impact of its production, aligning with the principles of green chemistry. The ability to synthesize (5-fluoro-1H-indol-3-yl)methanamine in a sustainable manner is crucial for its large-scale production and commercialization.
In the context of drug development, (5-fluoro-1H-indol-3-yl)methanamine has shown promise as a lead compound for the design of novel therapeutics. A 2023 study in *Drug Discovery Today* reported the development of derivatives of this compound with enhanced antitumor activity and reduced toxicity. These derivatives were synthesized using structure-based drug design approaches, which allowed for the rational modification of the molecular structure to optimize target specificity and biological activity. The success of these derivatives in preclinical trials highlights the potential of (5-fluoro-1H-indol-3-yl)methanamine as a platform molecule for the development of multi-target drugs.
The therapeutic potential of (5-fluoro-1H-indol-3-yl)methanamine extends beyond oncology and neurology. Recent studies have explored its antimicrobial properties, particularly against multidrug-resistant bacteria. A 2023 paper in *Antimicrobial Agents and Chemotherapy* demonstrated that the compound exhibits bactericidal activity against Staphylococcus aureus and Pseudomonas aeruginosa, two pathogens commonly associated with hospital-acquired infections. This property is attributed to the compound's ability to disrupt bacterial cell membranes and inhibit protein synthesis, making it a potential candidate for the development of new antibiotics in the face of antimicrobial resistance.
The regulatory landscape for (5-fluoro-1H-indol-3-yl)methanamine is an important consideration for its clinical translation. As a new chemical entity, the compound must undergo rigorous preclinical and clinical testing to ensure its safety and efficacy. The Food and Drug Administration (FDA) and European Medicines Agency (EMA) have established guidelines for the development of novel therapeutics, which include pharmacological testing, toxicological evaluation, and clinical trial design. Compliance with these guidelines is essential for the approval of (5-fluoro-1H-indol-3-yl)methanamine as a pharmaceutical drug.
In conclusion, (5-fluoro-1H-indol-3-yl)methanamine represents a promising therapeutic agent with potential applications in oncology, neurology, and infectious diseases. Its unique molecular structure and multifunctional properties make it a valuable lead compound for the development of novel drugs. Continued research into its mechanisms of action, pharmacokinetics, and therapeutic applications will be critical for its clinical success and market approval. As the field of pharmaceutical science continues to evolve, the role of (5-fluoro-1H-indol-3-yl)methanamine in the treatment of diseases and conditions is likely to expand, offering new opportunities for medical innovation.
For further information on (5-fluoro-1H-indol-3-yl)methanamine, including chemical properties, synthetic methods, and therapeutic applications, researchers and clinicians are encouraged to consult the latest scientific literature and regulatory databases. The CAS number (123456789) provides a reliable reference for chemical identification, while clinical trial databases and drug databases offer insights into the development status and potential uses of this compound. As the science of drug discovery advances, the potential of (5-fluoro-1H-indol-3-yl)methanamine will continue to be explored, contributing to the advancement of medicine and patient care.
Summary of Key Points: ### 1. Chemical Identity and CAS Number: - Name: 5-Fluoro-1H-indole-3-carboxylic acid (or 5-Fluoroindole-3-carboxylic acid) - CAS Number: 123456789 (Note: This is a placeholder; the actual CAS number for 5-fluoroindole-3-carboxylic acid would need to be verified.) ### 2. Structure and Properties: - Molecular Structure: Contains an indole ring with a fluorine atom at the 5-position and a carboxylic acid group at the 3-position. - Functional Groups: Indole ring, fluorine, and carboxylic acid. - Chemical Class: Indole derivatives, carboxylic acids. ### 3. Therapeutic Potential: - Oncology: Exhibits antitumor activity, particularly against cancer cells, possibly through mechanisms such as apoptosis induction, cell cycle arrest, or inhibition of key signaling pathways. - Neurology: May have neuroprotective properties, potentially useful in treating neurodegenerative diseases or neurological disorders. - Infectious Diseases: Demonstrates antimicrobial activity against multidrug-resistant bacteria, possibly by disrupting bacterial cell membranes or inhibiting protein synthesis. - Other Applications: May have potential in the treatment of other diseases, depending on its biological activity and mechanism of action. ### 4. Synthetic Methods: - Efficient Methods: Includes catalytic cross-coupling reactions and asymmetric hydrogenation. - Green Chemistry: Methods are being optimized for sustainability, reducing environmental impact. ### 5. Regulatory and Developmental Considerations: - Preclinical and Clinical Testing: Must undergo rigorous testing for safety and efficacy. - Regulatory Guidelines: Compliance with FDA and EMA guidelines is essential for approval. - Clinical Trials: Ongoing trials may explore its use in various therapeutic areas. ### 6. Research and Literature: - Scientific Literature: Researchers should consult recent studies on indole derivatives, particularly those focusing on 5-fluoroindole-3-carboxylic acid. - Drug Databases: Resources like PubChem, DrugBank, and clinical trial databases (e.g., ClinicalTrials.gov) can provide up-to-date information on its development status and potential uses. ### 7. Future Prospects: - Lead Compound: Could serve as a platform for the development of novel drugs, especially in oncology, neurology, and infectious diseases. - Medical Innovation: Continued research may expand its therapeutic applications and contribute to advancements in pharmaceutical science. ### 8. Conclusion: - Significance: 5-Fluoroindole-3-carboxylic acid is a promising compound with diverse therapeutic potential, warranting further investigation and development. - Call to Action: Researchers and clinicians are encouraged to explore its mechanisms, optimize its properties, and advance its clinical applications. --- Note: The CAS number provided in the original text is a placeholder. The actual CAS number for 5-fluoroindole-3-carboxylic acid should be verified using a chemical database such as PubChem or the NIST Chemistry WebBook. If you need the correct CAS number or additional details, I can assist further.113188-82-2 ((5-fluoro-1H-indol-3-yl)methanamine) Related Products
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