Cas no 64757-77-3 (Naphth[2,1-d]isothiazol-3-amine)
Naphth[2,1-d]isothiazol-3-amine Chemical and Physical Properties
Names and Identifiers
-
- MFCD03102924
- Naphtho[2,1-d]isothiazol-3-amine
- DTXCID60347382
- SCHEMBL11555060
- naphtho[2,1-d][1,2]thiazol-3-amine
- DTXSID70396523
- SR-01000088112
- SR-01000088112-1
- Naphth[2,1-d]isothiazol-3-amine
- Naphth(2,1-d)isothiazol-3-amine
- 64757-77-3
- AKOS001679688
- STK378240
-
- Inchi: 1S/C11H8N2S/c12-11-9-6-5-7-3-1-2-4-8(7)10(9)14-13-11/h1-6H,(H2,12,13)
- InChI Key: DDPDMHFLDDIOER-UHFFFAOYSA-N
- SMILES: S1C2C(C(N)=N1)=CC=C1C=CC=CC=21
Computed Properties
- Exact Mass: 200.04081944Da
- Monoisotopic Mass: 200.04081944Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 221
- 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: 3.2
- Topological Polar Surface Area: 67.2?2
Naphth[2,1-d]isothiazol-3-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A059005768-1g |
Naphtho[2,1-d]isothiazol-3-amine |
64757-77-3 | 97% | 1g |
$1720.56 | 2023-09-01 | |
| Alichem | A059005768-5g |
Naphtho[2,1-d]isothiazol-3-amine |
64757-77-3 | 97% | 5g |
$4048.14 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 2038700-1g |
Naphtho[2,1-d]isothiazol-3-amine |
64757-77-3 | 1g |
¥14552.00 | 2024-05-05 |
Naphth[2,1-d]isothiazol-3-amine Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
Additional information on Naphth[2,1-d]isothiazol-3-amine
Introduction to Naphth[2,1-d]isothiazol-3-amine (CAS No. 64757-77-3)
Naphth[2,1-d]isothiazol-3-amine, a compound with the chemical formula C??H?N?S, is a heterocyclic organic molecule that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound is characterized by its complex molecular structure, which includes a naphthyl ring fused with an isothiazole moiety. The presence of these functional groups imparts unique chemical and biological properties, making it a promising candidate for various therapeutic applications.
TheNaphth[2,1-d]isothiazol-3-amine molecule exhibits a rich pharmacophore that can interact with multiple biological targets. Its structural features suggest potential activities in modulating enzyme function, receptor binding, and cellular signaling pathways. These properties have positioned it as a subject of intense study in the development of novel drugs targeting a range of diseases.
Recent advancements in computational chemistry and molecular modeling have enabled researchers to gain deeper insights into the interactions of Naphth[2,1-d]isothiazol-3-amine with biological systems. These studies have highlighted its potential as an inhibitor of certain kinases and as a modulator of transcription factors. The compound's ability to disrupt aberrant signaling pathways associated with diseases such as cancer has made it a focal point in drug discovery efforts.
In the realm of medicinal chemistry, the synthesis of derivatives of Naphth[2,1-d]isothiazol-3-amine has been extensively explored to enhance its pharmacological profile. By modifying specific atoms or functional groups within the molecule, researchers aim to improve its selectivity, solubility, and metabolic stability. Such modifications are crucial for optimizing drug candidates for clinical use.
TheCAS No. 64757-77-3 identifier is a unique numerical code assigned to this compound by the Chemical Abstracts Service. This number serves as a crucial reference point for researchers and regulatory agencies, ensuring accurate identification and documentation in scientific literature and patent filings. The CAS registry system is an essential tool for maintaining consistency and precision in chemical nomenclature.
One of the most compelling aspects of Naphth[2,1-d]isothiazol-3-amine is its role in preclinical research. Numerous studies have demonstrated its efficacy in vitro and in vivo models, suggesting therapeutic potential against various conditions. For instance, preclinical trials have shown promising results in inhibiting the growth of certain cancer cell lines by targeting specific molecular pathways. These findings have laid the groundwork for further investigation into its clinical applicability.
Theisothiazole moiety present in Naphth[2,1-d]isothiazol-3-amine is known for its versatile reactivity and biological activity. This structural unit has been widely used in the development of antimicrobial agents, anti-inflammatory drugs, and even neuroprotective compounds. The unique electronic properties of the isothiazole ring allow it to engage with biological targets in diverse ways, making it a valuable scaffold for drug design.
From a synthetic chemistry perspective, Naphth[2,1-d]isothiazol-3-amine represents an intriguing challenge due to its complex architecture. The synthesis involves multi-step reactions that require precise control over reaction conditions to achieve high yields and purity. Advances in synthetic methodologies have made it possible to construct this molecule more efficiently than ever before, opening up new avenues for derivative development.
Thenaphthyl ring component of Naphth[2,1-d]isothiazol-3-amine contributes significantly to its pharmacological properties by influencing electronic distribution and steric interactions. This aromatic system can participate in π-stacking interactions with biological targets, enhancing binding affinity and selectivity. Such interactions are critical for designing molecules that exhibit high potency and minimal off-target effects.
In conclusion, Naphth[2,1-d]isothiazol-3-amine (CAS No. 64757-77-3) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural features and demonstrated biological activities make it a valuable asset in the quest for novel therapeutics. As research continues to uncover new applications and synthetic strategies for this molecule, its importance in drug discovery is likely to grow even further.
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