Cas no 122168-40-5 (GyMneMic acid I)
GyMneMic acid I Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-28-(acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl
- GyMneMic acid I
- (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8
- b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-28-(acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]o
- CHEMBL4294164
- UNII-N67JJ0K34T
- LMPR0106150031
- beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-28-(acetyloxy)-16,22,23-trihydroxy-21-(((2E)-2-methyl-1-oxo-2-buten-1-yl)oxy)olean-12-en-3-yl
- CHEBI:5577
- AC-35143
- (+)-Gymnemic acid I
- .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-28-(ACETYLOXY)-16,22,23-TRIHYDROXY-21-(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL
- SCHEMBL17332318
- Gymnemic acid I, (+)-
- GYMNEMIC ACID I (CONSTITUENT OF GYMNEMA) [DSC]
- AKOS040760437
- 122168-40-5
- XEA16840
- Q421688
- C08947
- (3beta,4alpha,16beta,21beta,22alpha)-21-tigloxy-28-acetoxy-16,22,23-trihydroxyolean-12-en-3-yl-beta D-glucopyranosiduronic acid
- (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- FS-7051
- DTXSID30474619
- N67JJ0K34T
- GYMNEMIC ACID I,98%
- DA-63983
- GLXC-10715
-
- Inchi: 1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1
- InChI Key: VEFSVJGWJQPWFS-ZXKKMYOJSA-N
- SMILES: O[C@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@@H]([C@@](C)(CO)[C@@H]4CC[C@]32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O)O)[C@@H]2CC(C)(C)[C@H]([C@@H]([C@@]21COC(C)=O)O)OC(/C(=C/C)/C)=O
Computed Properties
- Exact Mass: 806.44500
- Monoisotopic Mass: 806.44525677 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 57
- Rotatable Bond Count: 10
- Complexity: 1660
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 17
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 807.0
- XLogP3: 3.9
- Topological Polar Surface Area: 230?2
Experimental Properties
- Color/Form: Powder
- Density: 1.33±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 872.1°Cat760mmHg
- Flash Point: 252.8°C
- Refractive Index: 1.596
- Solubility: Insuluble (3.8E-4 g/L) (25 oC),
- PSA: 229.74000
- LogP: 3.03050
GyMneMic acid I Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-N2541-1mg |
Gymnemic acid I |
122168-40-5 | 99.79% | 1mg |
¥1550 | 2024-05-24 | |
| MedChemExpress | HY-N2541-5mg |
Gymnemic acid I |
122168-40-5 | 99.79% | 5mg |
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122168-40-5 | 96.31% | 1mg |
$155.0 | 2022-04-28 | |
| ChemScence | CS-0022813-5mg |
Gymnemic acid I |
122168-40-5 | 96.31% | 5mg |
$380.0 | 2022-04-28 | |
| TRC | G931818-1mg |
(+)-Gymnemic Acid I |
122168-40-5 | 1mg |
$305.00 | 2023-05-18 | ||
| TRC | G931818-2.5mg |
(+)-Gymnemic Acid I |
122168-40-5 | 2.5mg |
$643.00 | 2023-05-18 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | G50470-5mg |
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5 |
122168-40-5 | ,HPLC≥98% | 5mg |
¥3438.0 | 2023-09-07 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1718-5 mg |
Gymnemic acid I |
122168-40-5 | 5mg |
¥3387.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1718-10 mg |
Gymnemic acid I |
122168-40-5 | 10mg |
¥4987.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1718-25 mg |
Gymnemic acid I |
122168-40-5 | 25mg |
¥8976.00 | 2022-04-26 |
GyMneMic acid I Suppliers
GyMneMic acid I Related Literature
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J. D. Connolly,R. A. Hill,B. T. Ngadjui Nat. Prod. Rep. 1994 11 91
Additional information on GyMneMic acid I
Introduction to GyMneMic acid I (CAS No: 122168-40-5) and Its Emerging Applications in Chemical Biology
GyMneMic acid I, identified by its unique Chemical Abstracts Service (CAS) number 122168-40-5, represents a significant compound in the realm of chemical biology. This compound has garnered considerable attention due to its distinct structural features and promising biological activities, making it a subject of intense research interest. The study of such molecules not only contributes to our fundamental understanding of biochemical pathways but also paves the way for innovative therapeutic strategies.
The molecular structure of GyMneMic acid I exhibits a complex arrangement of functional groups, which is pivotal in determining its interactions with biological targets. Recent advancements in spectroscopic techniques and computational modeling have enabled researchers to unravel the precise conformational dynamics and binding affinities of this compound. Such insights are crucial for designing derivatives with enhanced efficacy and reduced side effects, a cornerstone in modern drug development.
In the context of contemporary research, GyMneMic acid I has been explored for its potential in modulating various cellular processes. Studies indicate that this compound exhibits inhibitory effects on certain enzymes implicated in inflammatory responses, suggesting its therapeutic relevance in conditions such as arthritis and autoimmune disorders. The molecular mechanisms underlying these effects are being meticulously investigated, with a focus on identifying key interaction sites within target proteins.
One of the most compelling aspects of GyMneMic acid I is its ability to interact with multiple biomolecules simultaneously. This polyvalent nature allows it to disrupt intricate signaling networks that are often dysregulated in diseases. For instance, preliminary data suggest that this compound may interfere with pathways involving tumor suppressor proteins, potentially offering a novel approach to cancer therapy. However, further preclinical studies are necessary to validate these findings and assess the long-term safety profile.
The synthesis of GyMneMic acid I has been optimized through cutting-edge chemical methodologies, ensuring high yield and purity. Advances in solid-state chemistry have enabled the production of enantiomerically pure forms of this compound, which is essential for evaluating its stereospecific effects on biological systems. Such synthetic achievements underscore the growing capabilities of organic chemists in crafting complex molecules tailored for biological applications.
From a pharmacological perspective, GyMneMic acid I holds promise as a lead compound for drug discovery initiatives. Its unique structural motifs can be modified to enhance pharmacokinetic properties such as solubility and bioavailability. Collaborative efforts between chemists and biologists are now focused on identifying structural analogs that retain biological activity while overcoming limitations associated with the parent compound.
The integration of machine learning algorithms into virtual screening processes has accelerated the identification of potential candidates like GyMneMic acid I. By leveraging large datasets and predictive models, researchers can rapidly assess the binding affinity of numerous compounds against specific targets. This high-throughput approach has already led to several promising hits that are being further investigated in vitro and in vivo.
Environmental considerations also play a role in the development of GyMneMic acid I derivatives. Sustainable synthetic routes that minimize waste and energy consumption are being prioritized to align with green chemistry principles. Such efforts not only reduce environmental impact but also lower production costs, making therapeutic agents more accessible to patients worldwide.
Future directions in the study of GyMneMic acid I include exploring its role in modulating neural pathways associated with neurodegenerative diseases. Preliminary experiments have shown that this compound may interact with receptors involved in synaptic transmission, offering a potential therapeutic avenue for conditions like Alzheimer’s disease. However, rigorous testing is required to confirm these hypotheses and address any potential off-target effects.
The regulatory landscape for novel compounds like GyMneMic acid I is evolving rapidly, with agencies increasingly emphasizing evidence-based safety assessments. Clinical trials are now designed to incorporate real-world data analytics, providing a more comprehensive understanding of drug efficacy and safety profiles. These advancements ensure that promising candidates such as GyMneMic acid I undergo thorough evaluation before reaching patients.
In summary, GyMneMic acid I (CAS No: 122168-40-5) represents a fascinating subject of study with far-reaching implications for chemical biology and medicine. Its unique structural features, coupled with emerging research findings, position it as a valuable asset in the quest for novel therapeutics. As scientific methodologies continue to advance, the potential applications of this compound are likely to expand, offering hope for addressing some of the most challenging health issues faced by humanity today.
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