Cas no 116823-32-6 (trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid)
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Cyclobutanecarboxylicacid, 1-amino-3-(hydroxymethyl)-, trans-
- Cyclobutanecarboxylic acid, 1-amino-3-(hydroxymethyl)-, trans- (9CI)
- 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
- trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
- 1-Amino-3-(hydroxymethyl)cyclobutanecarboxylic acid
- Cis-1-amino-3-hydroxymethyl-cyclobutane-1-carboxylic acid
- cis-1-Amino-3-(hydroxymethyl)cyclobutanecarboxylic acid
- trans-1-Amino-3-(hydroxymethyl)cyclobutanecarboxylic acid
- NSC621813
- SB22506
- AS-
- NSC-621813
- CS-0047834
- SCHEMBL21946032
- CS-0052645
- SCHEMBL25662370
- AKOS023600433
- MFCD24498278
- AS-52957
- Cyclobutanecarboxylic acid,1-amino-3-(hydroxymethyl)-,cis-(9ci)
- MFCD01318244
- SY099377
- 109794-96-9
- AKOS006339356
- 116823-32-6
- (1r,3r)-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
- PB48867
- SCHEMBL12909454
- EN300-1609239
- AS-54253
- cis-1-Amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
- Cyclobutanecarboxylic acid, 1-amino-3-(hydroxymethyl)-
- CS-0056252
- 1555492-59-5
- P15911
- EN300-7168071
- P17677
- (1s,3s)-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
- SCHEMBL25660685
- AKOS006339355
- cis-1-Amino-3-(hydroxymethyl)cyclobutanecarboxylicacid
-
- MDL: MFCD01318244
- Inchi: 1S/C6H11NO3/c7-6(5(9)10)1-4(2-6)3-8/h4,8H,1-3,7H2,(H,9,10)
- InChI Key: URCBHRLIPUAWTF-UHFFFAOYSA-N
- SMILES: OCC1CC(C(=O)O)(C1)N
Computed Properties
- Exact Mass: 145.074
- Monoisotopic Mass: 145.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 151
- 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: -3.5
- Topological Polar Surface Area: 83.6
Experimental Properties
- Color/Form: Colorless liquid
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid Security Information
- Storage Condition:20°C
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM556246-1g |
trans-1-Amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 95%+ | 1g |
$631 | 2023-01-01 | |
| Chemenu | CM556246-5g |
trans-1-Amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 95%+ | 5g |
$1895 | 2023-01-01 | |
| eNovation Chemicals LLC | D588788-1G |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 95% | 1g |
$240 | 2024-07-21 | |
| eNovation Chemicals LLC | D588788-5G |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 95% | 5g |
$695 | 2024-07-21 | |
| eNovation Chemicals LLC | D588788-10G |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 95% | 10g |
$1110 | 2024-07-21 | |
| eNovation Chemicals LLC | D588788-25G |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 95% | 25g |
$1985 | 2024-07-21 | |
| abcr | AB511220-1 g |
trans-1-Amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid; . |
116823-32-6 | 1g |
€319.00 | 2023-06-14 | ||
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBLL1650-1G |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 97% | 1g |
¥ 1,234.00 | 2023-04-06 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBLL1650-5G |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 97% | 5g |
¥ 3,696.00 | 2023-04-06 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBLL1650-10G |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
116823-32-6 | 97% | 10g |
¥ 5,920.00 | 2023-04-06 |
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
Additional information on trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
Comprehensive Overview of trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid (CAS No. 116823-32-6)
trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid, with the CAS number 116823-32-6, is a specialized cyclic amino acid derivative that has garnered significant attention in pharmaceutical and biochemical research. This compound, often abbreviated as trans-ACBC, features a unique cyclobutane backbone with both amino and hydroxymethyl functional groups, making it a versatile building block for drug discovery and peptide engineering. Its structural rigidity and chiral centers contribute to its potential applications in targeting G-protein-coupled receptors (GPCRs) and modulating neurotransmitter systems.
In recent years, the demand for custom amino acids like trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid has surged due to their role in developing peptide therapeutics and small-molecule drugs. Researchers are particularly interested in its potential to enhance drug bioavailability and metabolic stability, addressing common challenges in oral drug delivery. The compound’s cyclobutane ring offers conformational constraints that can improve binding affinity to biological targets, a feature highly sought after in cancer immunotherapy and central nervous system (CNS) disorders.
The synthesis of CAS 116823-32-6 typically involves stereoselective methods to ensure the correct trans-configuration, which is critical for its biological activity. Advanced techniques such as asymmetric catalysis and enzymatic resolution are often employed to achieve high enantiomeric purity. This aligns with the growing trend in green chemistry, where sustainable and efficient synthetic routes are prioritized to reduce environmental impact.
From a commercial perspective, trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid is available through specialized chemical suppliers and contract research organizations (CROs). Its pricing and availability are influenced by factors such as scale of production, purity grade (e.g., >98% HPLC), and custom modifications. Companies focusing on peptide-based drug development often seek this compound for its ability to introduce structural diversity into lead optimization campaigns.
Emerging studies highlight the potential of trans-ACBC in addressing neurodegenerative diseases, such as Alzheimer’s and Parkinson’s, due to its ability to cross the blood-brain barrier (BBB). This has sparked interest in its use for designing neuroprotective agents and diagnostic probes. Additionally, its application in bioconjugation and prodrug strategies further expands its utility in modern precision medicine.
For researchers exploring structure-activity relationships (SAR), trans-1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid serves as a valuable scaffold to investigate molecular interactions and conformational dynamics. Computational tools like molecular docking and quantum mechanics calculations are frequently employed to predict its behavior in complex biological systems. These approaches align with the industry’s shift toward AI-driven drug discovery, where machine learning models accelerate the identification of novel bioactive compounds.
In summary, CAS 116823-32-6 represents a cutting-edge tool in medicinal chemistry and biotechnology, bridging gaps between chemical synthesis and therapeutic innovation. Its multifaceted applications—from drug design to neuroscience research—underscore its importance in advancing personalized healthcare solutions. As the scientific community continues to uncover its potential, this compound is poised to play a pivotal role in shaping the future of bioactive small molecules.
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