Cas no 78957-84-3 (N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride)

N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride is a sulfonamide derivative with potential applications in biochemical and pharmacological research. Its structure features a naphthalene core substituted with a chloro group and a sulfonamide-linked aminobutyl chain, which may confer selective binding properties. The hydrochloride salt form enhances solubility in aqueous solutions, facilitating experimental handling. This compound could serve as a useful intermediate or probe in studies targeting sulfonamide-interacting proteins or enzymes. Its well-defined molecular architecture allows for precise modifications, making it a versatile building block for further derivatization. The presence of both aromatic and aliphatic amine functionalities offers opportunities for diverse chemical interactions in research applications.
N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride structure
78957-84-3 structure
Product Name:N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride
CAS No:78957-84-3
MF:C14H18Cl2N2O2S
MW:349.275920391083
CID:553744
PubChem ID:9884715
Update Time:2025-05-24

N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenesulfonamide,N-(4-aminobutyl)-5-chloro-, hydrochloride (1:1)
    • N-(4-Aminobutyl)-5-chloro-1-naphthalenesulfonamide Hydrochloride
    • N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide,hydrochloride
    • N-(4-Aminobutyl)-5-chloro-1-naphthalenesulphonamide hydrochloride
    • N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide hydrochloride
    • OR0190T
    • N-(4-azanylbutyl)-5-chloranyl-naphthalene-1-sulfonamide hydrochloride
    • 78957-84-3
    • N-(4-Aminobutyl)-5-chloronaphthalene-1-sulfonamide--hydrogen chloride (1/1)
    • W-13 Isomer hydrochloride
    • Calmodulin antagonist-1
    • HY-115745
    • W-13, >=98% (HPLC)
    • A 0666
    • DTXSID10432393
    • SR-01000075655
    • N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide;hydrochloride
    • N-(4-Aminobutyl)-5-chloro-1-naphthalenesulfonamide HCl
    • EU-0100013
    • SCHEMBL9895589
    • NCGC00093538-01
    • SR-01000075655-1
    • CHEMBL1526455
    • CS-0255176
    • A839539
    • AKOS027383386
    • FT-0641703
    • N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
    • DB-056343
    • N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride
    • Inchi: 1S/C14H17ClN2O2S.ClH/c15-13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)17-10-2-1-9-16;/h3-8,17H,1-2,9-10,16H2;1H
    • InChI Key: IKMXJMNRHREPOD-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2C1=CC=CC=2S(NCCCCN)(=O)=O.Cl

Computed Properties

  • Exact Mass: 348.04700
  • Monoisotopic Mass: 348.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 397
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.6A^2

Experimental Properties

  • Melting Point: 243-246
  • Boiling Point: 501.5°C at 760 mmHg
  • Flash Point: 257.1°C
  • PSA: 80.57000
  • LogP: 5.48440

N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride Security Information

  • WGK Germany:3
  • Storage Condition:2-8°C

N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride Pricemore >>

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Additional information on N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride

Introduction to N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride (CAS No. 78957-84-3)

N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride, identified by its CAS number 78957-84-3, is a specialized chemical compound that has garnered significant attention in the field of pharmaceutical research and development. This compound belongs to the class of sulfonamides, which are well-known for their broad spectrum of biological activities. The unique structural features of this molecule, particularly the presence of an amine group and a chloro substituent on the naphthalene ring, contribute to its distinctive chemical properties and potential therapeutic applications.

The< strong>naphthalenesulfonamide moiety is a key pharmacophore in many bioactive molecules, and its modification with various substituents can lead to compounds with enhanced efficacy and selectivity. In the case of N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride, the introduction of the 4-aminobutyl chain not only influences the solubility and pharmacokinetic behavior but also modulates the interaction with biological targets. The hydrochloride salt form of this compound enhances its stability and bioavailability, making it a promising candidate for further investigation.

Recent advancements in drug discovery have highlighted the importance of sulfonamide derivatives in addressing various therapeutic challenges. Sulfonamides have been widely used in the treatment of bacterial infections, diabetes, and even cancer due to their ability to interact with enzymes and receptors in complex biological pathways. The< strong>5-chloro substituent in N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride is particularly noteworthy, as chlorine atoms can enhance the lipophilicity and metabolic stability of a molecule, thereby improving its pharmacological profile.

One of the most compelling aspects of this compound is its potential application in oncology research. Emerging studies have demonstrated that sulfonamide derivatives can inhibit key enzymes involved in tumor growth and progression. The< strong>4-aminobutyl side chain in N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride may serve as a linker to enhance binding affinity to target proteins, such as kinases and transcription factors. This has led to interest in developing novel sulfonamides as inhibitors for various cancers.

In addition to its oncological potential, this compound has shown promise in preclinical models for treating inflammatory diseases. Sulfonamides are known to modulate inflammatory pathways by inhibiting enzymes like cyclooxygenase (COX) and lipoxygenase (LOX). The structural design of N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride may allow it to selectively interact with these enzymes, thereby reducing inflammation without causing significant side effects.

The synthesis of N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the 4-aminobutyl group necessitates careful handling to avoid unwanted side reactions, while the chlorination step must be optimized to ensure high yield and purity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to enhance the efficiency of these processes.

The pharmacological evaluation of this compound has revealed several interesting properties. In vitro studies have shown that it exhibits moderate activity against certain bacterial strains, suggesting its potential as an antimicrobial agent. Furthermore, preliminary animal studies have indicated that it may have a role in modulating immune responses, which could be beneficial in treating autoimmune disorders.

The< strong>CAS number 78957-84-3 provides a unique identifier for this compound, facilitating its recognition and use in scientific literature and regulatory submissions. Researchers often rely on CAS numbers to ensure accuracy when referencing specific chemical entities, especially when conducting literature reviews or designing new experiments.

The future development of N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride will likely involve further optimization of its chemical structure to improve its pharmacological properties. Techniques such as structure-based drug design and high-throughput screening will be instrumental in identifying analogs with enhanced potency and reduced toxicity. Additionally, computational modeling techniques can help predict how modifications to the molecule will affect its biological activity.

In conclusion, N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride is a versatile sulfonamide derivative with significant potential in pharmaceutical applications. Its unique structural features make it an attractive candidate for further research in oncology and inflammation management. As our understanding of biological pathways continues to expand, compounds like this one will play a crucial role in developing novel therapeutics that address unmet medical needs.

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