Cas no 58002-62-3 ((2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate)
(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)-
- (-)-α-Kainic Acid Monohydrate
- (?)-(α)-Kainic Acid (hydrate)
- kainic acid monohydrate
- (-)-Kainic acid Monohydrat
- (3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-L-proline hydrate (1:1)
- Kainic Acid 2-Carboxy-3-Carboxymethyl-4-Isopropenylpyrrolidine
- 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine
- Kainic Acid, Natural
- I519JC63XY
- 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)-
- (2S,3S,4R)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid
- (2S,3S,4S)-3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate
- Kainic acid hydrate
- (-)-Kainic acid hydrate
- Kainic acid hydrate [JAN]
- Digenin (TN)
- Kainic acid hydrate (JP17)
- Kainic ac
- (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate
- Kainic acid monohydrate, >=99% (TLC)
- CS-0047705
- D02546
- SR-01000075454-9
- A903079
- MFCD00150833
- SCHEMBL6081964
- Kainic acid monohydrate, 98%
- Q27280455
- 3-PYRROLIDINEACETIC ACID, 2-CARBOXY-4-(1-METHYLETHENYL)-, MONOHYDRATE, (2S-(2.ALPHA.,3.BETA.,4.BETA.))-
- (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid;hydrate
- (-)-(.alpha.)-Kainic Acid (hydrate)
- (-)-(??)-Kainic Acid (hydrate)
- UNII-I519JC63XY
- DTXSID50206732
- Kainicacidmonohydrate
- Kainic acid (hydrate)
- AKOS040755903
- Kainic acid monohydrate, >=98% (HPLC), from Digenea simplex
- 58002-62-3
- 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, monohydrate, (2S-(2alpha,3beta,4beta))-
- EX-A8001A
- HY-N2309A
- (-)-alpha-Kainic Acid Monohydrate
- HMS3649I10
- ()-(α)-Kainic Acid hydrate
- (2S,3S,4S)-3-(Carboxymethyl)-4-(1-methylethenyl)pyrrolidine-2-carboxylic acid monohydrate
- 487-79-6, anhydride
- G85409
- DTXCID80129223
-
- MDL: MFCD00150833
- Inchi: 1S/C10H15NO4.H2O/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13;/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15);1H2/t6-,7+,9-;/m0./s1
- InChI Key: FZNZRJRSYLQHLT-SLGZUKMRSA-N
- SMILES: OC([C@@H]1[C@@H](CC(=O)O)[C@@H](C(=C)C)CN1)=O.O
Computed Properties
- Exact Mass: 231.11067264g/mol
- Monoisotopic Mass: 231.11067264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 300
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87.6
Experimental Properties
- Color/Form: White solid
- Melting Point: 250-252°C
- Solubility: H2O: >10?mg/mL
- Sensitiveness: Light Sensitive
- Solubility: Water (㎎ /ml)
(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: 22-24/25
- FLUKA BRAND F CODES:10
- RTECS:UX9665250
- Storage Condition:2-8°C
(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | K445000-5mg |
(-)-α-Kainic Acid Monohydrate |
58002-62-3 | 5mg |
$ 158.00 | 2023-09-07 | ||
| TRC | K445000-25mg |
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$ 414.00 | 2023-09-07 | ||
| TRC | K445000-100mg |
(-)-α-Kainic Acid Monohydrate |
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$ 1200.00 | 2023-09-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | K911410-5mg |
(?)-(α)-Kainic Acid hydrate |
58002-62-3 | 98% | 5mg |
¥2,390.40 | 2022-01-14 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci74730-5mg |
(-)-(α)-Kainic Acid (hydrate) |
58002-62-3 | 98% | 5mg |
¥831.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci74730-10mg |
(-)-(α)-Kainic Acid (hydrate) |
58002-62-3 | 98% | 10mg |
¥1481.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci74730-25mg |
(-)-(α)-Kainic Acid (hydrate) |
58002-62-3 | 98% | 25mg |
¥3183.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci74730-50mg |
(-)-(α)-Kainic Acid (hydrate) |
58002-62-3 | 98% | 50mg |
¥5620.00 | 2022-04-26 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | K40870-1mg |
Kainic acid monohydrate |
58002-62-3 | 1mg |
¥298.0 | 2022-04-27 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | K40870-10mg |
Kainic acid monohydrate |
58002-62-3 | 10mg |
¥2758.0 | 2022-04-27 |
(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate Suppliers
(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
Additional information on (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate
(2S,3S,4S)-3-(Carboxymethyl)-4-Isopropenyl-Pyrrolidine-2-Carboxylic Acid;Hydrate: A Comprehensive Overview
The compound with CAS No. 58002-62-3, commonly referred to as (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate, is a highly specialized organic molecule with significant potential in the fields of pharmacology and biochemistry. This compound belongs to the class of pyrrolidine derivatives, which are known for their versatile applications in drug design and development. The stereochemistry of this molecule, specifically the (2S,3S,4S) configuration, plays a crucial role in determining its biological activity and stability.
Recent studies have highlighted the importance of pyrrolidine derivatives in the development of novel therapeutic agents. The presence of a carboxymethyl group at position 3 and an isopropenyl group at position 4 contributes to the molecule's unique physicochemical properties. These groups enhance the compound's ability to interact with biological targets, making it a promising candidate for drug delivery systems and enzyme inhibitors.
The hydrate form of this compound is particularly interesting due to its improved solubility and bioavailability. This property is essential for pharmaceutical applications where efficient absorption and distribution are critical. Researchers have also explored the potential of this compound as a building block for more complex molecules, leveraging its stereochemical integrity to construct advanced drug candidates.
One of the most recent breakthroughs involving this compound is its application in targeted drug delivery systems. By modifying the side chains and optimizing the stereochemistry, scientists have successfully enhanced the molecule's ability to deliver therapeutic agents to specific sites within the body. This innovation has significant implications for treating diseases such as cancer and neurodegenerative disorders.
In addition to its pharmacological applications, this compound has shown promise in the field of biocatalysis. Its ability to act as a substrate for various enzymes makes it an invaluable tool in studying enzymatic mechanisms and developing new catalysts for industrial processes.
The synthesis of (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate involves a multi-step process that requires precise control over stereochemistry. Recent advancements in asymmetric synthesis have enabled researchers to achieve high yields and enantioselectivity in the production of this compound. These methods are now being scaled up for industrial applications, paving the way for large-scale production.
Furthermore, computational studies have provided deeper insights into the molecular interactions of this compound with biological targets. Advanced modeling techniques have revealed that the isopropenyl group acts as a key determinant in stabilizing interactions with proteins, while the carboxylic acid groups contribute to hydrogen bonding networks essential for binding affinity.
In conclusion, (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid;hydrate represents a cutting-edge molecule with vast potential across multiple scientific disciplines. Its unique structure, combined with recent advancements in synthesis and application techniques, positions it as a cornerstone in modern drug discovery and development.
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