Cas no 117756-28-2 (Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI))
Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI)
- PTH-ARGININE .HCL.H2O
- PTH-arginine hydrochloride
- Phenylthiohydantoin-arginine Hydrochloride
- Pth-arginine HCl
- D92002
- J-003663
- 1-(3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)propyl)guanidine hydrochloride
- 117756-28-2
- N-[3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)propyl]guanidine hydrochloride
- 5-(3-Guanidinopropyl)-3-phenyl-2-thiohydantoin Hydrochloride
- P0731
- CS-0448837
- 2-[3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propyl]guanidine;hydrochloride
- 182153-75-9
- 2-[3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine;hydrochloride
- PTH-Argininehydro Chloride
- 2-(3-(5-OXO-1-PHENYL-2-THIOXOIMIDAZOLIDIN-4-YL)PROPYL)GUANIDINE HYDROCHLORIDE
- FT-0642878
- MFCD00060177
- N-[3-(5-OXO-1-PHENYL-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL)PROPYL]GUANIDINE HYDROCHLORIDE
- DB-041383
-
- Inchi: 1S/C13H17N5OS.ClH/c14-12(15)16-8-4-7-10-11(19)18(13(20)17-10)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,17,20)(H4,14,15,16);1H
- InChI Key: IXKPSQGERWCHMF-UHFFFAOYSA-N
- SMILES: Cl.S=C1N(C2C=CC=CC=2)C(C(CCC/N=C(\N)/N)N1)=O
Computed Properties
- Exact Mass: 327.09200
- Monoisotopic Mass: 327.0920591g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 402
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 129?2
Experimental Properties
- Melting Point: 188 °C
- PSA: 126.33000
- LogP: 2.92630
Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) Security Information
- Hazardous Material transportation number:UN 2811 6.1/PG 3
- WGK Germany:3
Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA02097-100mg |
Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) |
117756-28-2 | - | 100mg |
¥1428.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA02097-250mg |
Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) |
117756-28-2 | - | 250mg |
¥2738.0 | 2024-07-19 | |
| eNovation Chemicals LLC | Y1243183-100mg |
2-[3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine;hydrochloride |
117756-28-2 | 99% | 100mg |
$170 | 2024-06-05 | |
| eNovation Chemicals LLC | Y1243183-500mg |
2-[3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine;hydrochloride |
117756-28-2 | 99% | 500mg |
$590 | 2024-06-05 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-229015-100 mg |
PTH-arginine hydrochloride, |
117756-28-2 | 100MG |
¥737.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-229015-100mg |
PTH-arginine hydrochloride, |
117756-28-2 | 100mg |
¥737.00 | 2023-09-05 | ||
| eNovation Chemicals LLC | Y1243183-100mg |
2-[3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine;hydrochloride |
117756-28-2 | 99% | 100mg |
$170 | 2025-02-22 | |
| eNovation Chemicals LLC | Y1243183-500mg |
2-[3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine;hydrochloride |
117756-28-2 | 99% | 500mg |
$590 | 2025-02-22 | |
| eNovation Chemicals LLC | Y1243183-500mg |
2-[3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine;hydrochloride |
117756-28-2 | 99% | 500mg |
$590 | 2025-02-25 | |
| eNovation Chemicals LLC | Y1243183-100mg |
2-[3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine;hydrochloride |
117756-28-2 | 99% | 100mg |
$170 | 2025-02-25 |
Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
Additional information on Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI)
Comprehensive Overview of Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) (CAS No. 117756-28-2)
The compound Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) (CAS No. 117756-28-2) is a specialized organic molecule with significant potential in pharmaceutical and biochemical research. Its unique structure, featuring a guanidine moiety linked to a thioxo-imidazolidinyl scaffold, makes it a subject of interest for drug discovery and enzyme inhibition studies. Researchers are increasingly exploring its applications in targeting metabolic pathways and modulating protein-protein interactions, which aligns with current trends in precision medicine and small-molecule therapeutics.
One of the key reasons for the growing attention toward CAS No. 117756-28-2 is its potential role in addressing oxidative stress-related disorders. Recent studies highlight the importance of compounds with thioxo functional groups in scavenging reactive oxygen species (ROS), a topic frequently searched in academic and medical communities. The monohydrochloride salt form of this compound enhances its solubility, making it more suitable for in vitro and in vivo assays. This property is critical for researchers investigating neurodegenerative diseases or age-related cellular damage, where bioavailability is a major concern.
From a synthetic chemistry perspective, the stereochemistry of the (4S)-5-oxo-1-phenyl segment in Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) offers intriguing possibilities for chiral drug development. Asymmetric synthesis and enantioselective catalysis are hot topics in modern organic chemistry, and this compound’s structure provides a template for designing novel enzyme inhibitors. Its phenyl and imidazolidinyl groups are often discussed in forums focusing on heterocyclic compound optimization, a frequent search query among medicinal chemists.
Another area where CAS No. 117756-28-2 garners interest is in peptide mimetics research. The guanidine group mimics arginine side chains, enabling the compound to interact with biological targets such as G-protein-coupled receptors (GPCRs). This aligns with the surge in searches for non-peptidic GPCR modulators, as pharmaceutical companies seek alternatives to traditional biologics. The compound’s thioxo functionality further enhances its binding affinity, a feature often explored in structure-activity relationship (SAR) studies.
In the context of green chemistry, the synthesis and application of Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) are being evaluated for sustainability. Researchers are investigating solvent-free or low-waste synthetic routes, responding to the increasing demand for eco-friendly chemical processes. This trend is reflected in search engine queries related to green synthesis of heterocycles, highlighting the compound’s relevance in contemporary industrial and academic settings.
Finally, the compound’s potential in antibacterial and antifungal applications cannot be overlooked. With the rise of antimicrobial resistance (AMR), scientists are scrutinizing thioxo-containing compounds for their ability to disrupt microbial biofilms or inhibit essential enzymes. The imidazolidinyl core of CAS No. 117756-28-2 is structurally similar to several clinically used antimicrobial agents, making it a candidate for drug repurposing studies—a frequently searched topic in pharmaceutical databases.
In summary, Guanidine,[3-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]propyl]-, monohydrochloride(9CI) (CAS No. 117756-28-2) represents a versatile scaffold with multifaceted applications. Its relevance to drug discovery, enzyme inhibition, and sustainable chemistry ensures its continued prominence in scientific literature and industry discussions. As research progresses, this compound may unlock new therapeutic avenues, addressing some of the most pressing challenges in modern medicine and biochemistry.
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