Cas no 118926-63-9 (4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide)
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide Chemical and Physical Properties
Names and Identifiers
-
- 4,5,6,7-tetrahydrobenzo[d]thiazol-2-amine hydroiodide
- 2-amino-4,5,6,7-tetrahydrobenzothiazole hydroiodide
- 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide
- 2-amino-4,5,6,7-tetrahydrobenzothiazole hydrogen iodide
- CHEMBL41914
- 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide
- 118926-63-9
- AKOS003747608
- NSC45351
- 2R-1120
- SRIBOJGMWSVQMR-UHFFFAOYSA-N
- EN300-23017542
- MFCD00722720
- NSC-45351
-
- MDL: MFCD00722720
- Inchi: 1S/C7H10N2S.HI/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H
- InChI Key: SRIBOJGMWSVQMR-UHFFFAOYSA-N
- SMILES: I.S1C(N)=NC2=C1CCCC2
Computed Properties
- Exact Mass: 281.96877g/mol
- Monoisotopic Mass: 281.96877g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 129
- 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: 67.2?2
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T150375-25mg |
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | 25mg |
$ 230.00 | 2022-06-02 | ||
| TRC | T150375-50mg |
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | 50mg |
$ 380.00 | 2022-06-02 | ||
| Enamine | EN300-23017542-0.05g |
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | 95% | 0.05g |
$148.0 | 2024-06-20 | |
| abcr | AB579977-500mg |
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide; . |
118926-63-9 | 500mg |
€678.60 | 2024-08-02 | ||
| abcr | AB579977-1g |
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide; . |
118926-63-9 | 1g |
€1312.80 | 2024-08-02 | ||
| A2B Chem LLC | AI83469-1mg |
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | >90% | 1mg |
$201.00 | 2024-04-20 | |
| A2B Chem LLC | AI83469-5mg |
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | >90% | 5mg |
$214.00 | 2024-04-20 | |
| A2B Chem LLC | AI83469-10mg |
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | >90% | 10mg |
$240.00 | 2024-04-20 | |
| A2B Chem LLC | AI83469-500mg |
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | >90% | 500mg |
$720.00 | 2024-04-20 | |
| A2B Chem LLC | AI83469-1g |
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydroiodide |
118926-63-9 | >90% | 1g |
$1295.00 | 2024-04-20 |
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide
Professional Introduction to 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide (CAS No: 118926-63-9)
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide, identified by the chemical compound code CAS No: 118926-63-9, is a significant molecule in the realm of pharmaceutical chemistry and medicinal research. This compound belongs to the benzothiazole derivatives, a class of heterocyclic compounds that have garnered considerable attention due to their diverse biological activities and potential therapeutic applications. The hydroiodide salt form enhances the solubility and stability of the parent amine, making it a valuable intermediate in synthetic chemistry and drug development pipelines.
The structural framework of 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide consists of a benzothiazole core substituted with a tetrahydropyrimidine ring at the 1-position and an amine group at the 2-position. This unique arrangement imparts distinct electronic and steric properties to the molecule, which are critical for its interaction with biological targets. The presence of the hydroiodide counterion further modulates these properties, influencing both its reactivity and pharmacokinetic behavior.
In recent years, benzothiazole derivatives have been extensively studied for their antimicrobial, anti-inflammatory, anticancer, and antiviral properties. The amine functionality in 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide serves as a key pharmacophore, enabling hydrogen bonding interactions with biological macromolecules such as enzymes and receptors. This has spurred interest in developing analogs of this compound as lead candidates for novel therapeutic agents.
One of the most compelling areas of research involving 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide is its potential application in oncology. Studies have demonstrated that benzothiazole derivatives can inhibit the activity of various kinases and other enzymes implicated in cancer progression. For instance, modifications to the benzothiazole scaffold have led to compounds that exhibit potent inhibitory effects on tyrosine kinases, which are overexpressed in many solid tumors. The hydroiodide salt form has been particularly useful in optimizing solubility for in vitro assays and preclinical studies.
Moreover, the scaffold flexibility provided by the tetrahydropyrimidine ring allows for structural modifications that can fine-tune pharmacological profiles. Researchers have explored various substituents at different positions of the benzothiazole core to enhance binding affinity and reduce off-target effects. These efforts have resulted in several promising candidates that are currently undergoing further investigation.
The synthesis of 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide involves multi-step organic transformations starting from readily available precursors. The key steps typically include cyclization reactions to form the benzothiazole ring system followed by functionalization at the 2-position with an amine group. The final step involves quaternization with hydroiodic acid to yield the desired salt form. Advances in synthetic methodologies have enabled more efficient and scalable production processes for this compound.
The pharmacokinetic properties of 4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide are also under active investigation. In preclinical studies conducted using animal models, it has been observed that this compound exhibits moderate bioavailability following oral administration. However, its metabolic stability remains a challenge due to rapid degradation by cytochrome P450 enzymes. Strategies such as prodrug design or co-administration with metabolic inhibitors are being explored to mitigate these issues.
Recent publications highlight the role of 4,5,6,7-Tetrahydro,1,3-Benzothiazol,-2-Amine hydriodide (CAS No: 118926,63,9) as a key intermediate in developing novel antiviral agents. The benzothiazole moiety is known to disrupt viral protease activity, which is crucial for viral replication cycles. Preliminary data suggest that derivatives of this compound can inhibit certain viral proteases with high selectivity over human cellular enzymes. This finding opens up new avenues for treating emerging viral infections where existing treatments are limited or ineffective.
The development of structure-based drug design techniques has further accelerated progress in optimizing 4,5,6,7-Tetrahydropyrimidinyl]-substituted benzothiazoles like our subject compound. High-resolution crystal structures of enzyme-vitamin complexes have provided insights into binding modes that can guide rational design modifications aimed at improving potency and selectivity. These computational approaches combined with experimental validation offer a powerful pipeline for generating next-generation therapeutic agents.
In conclusion,4,5,6,7-Tetrahydropyrimidinyl]-substituted benzothiazoles represent a fertile ground for medicinal chemists seeking novel bioactive molecules.* The versatility of this scaffold combined with its demonstrated biological efficacy makes it an attractive platform for drug discovery.* Further exploration into synthetic methodologies,* pharmacokinetic optimization,* and structure-based design will likely yield valuable contributions to human health.* As research continues,* compounds like *4,5,6,7-Tetrahydropyrimidinyl]-substituted benzothiazoles* will continue to play an important role* in addressing unmet medical needs* across multiple therapeutic areas.*
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