Cas no 520-68-3 ((+)-Echimidine)
(+)-Echimidine Chemical and Physical Properties
Names and Identifiers
-
- L-threo-Pentitol,1,5-dideoxy-2-C-methyl-3-C-[[[(1R,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methoxy]carbonyl]-
- (7aR)-7-[(Ξ)-2,3-Dihydroxy-2-((Ξ)-1-hydroxy-aethyl)-3-methyl-butyryloxymethyl]-1c-(2-methyl-cis-crotonoyloxy)-(7ar)-2,3,5,7a-tetrahydro-1H-pyrrolizin
- (+)-Echimidine
- (7aR)-7-[(Ξ)-2,3-dihydroxy-2-((Ξ)-1-hydroxy-ethyl)-3-methyl-butyryloximethyl]-1c-(2-methyl-cis-crotonoyloxy)-(7ar)-2,3,5,7a-tetrahydro-1H-pyrrolizin
- ECHIMIDINE(P)
- L-threo-Pentitol,1,5-dideoxy-2-C-methyl-3-C-[[[(1R,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrr
- 2-BUTENOIC ACID, 2-METHYL-, 7-((2,3-DIHYDROXY-2-(1- HYDROXYETHYL)-3-METHYL-1-OXOBUTOXY)METHYL)-2,3,5,7A- TETRAHYDRO-1H-PYRROLIZIN-1-YL ESTER, (1R- (1.ALPHA.(Z),7(2R*,3S*),7A.BETA.))-
- CS-0084054
- L-THREO-PENTITOL, 1,5-DIDEOXY-2-C-METHYL-3-C-((((1R,7AR)-2,3,5,7A-TETRAHYDRO-1-(((2Z)-2-METHYL-1-OXO-2-BUTENYL)OXY)-1H-PYRROLIZIN-7-YL)METHOXY)CARBONYL)-
- DTXCID301477879
- DTXSID501020028
- Q27106462
- 7-Angelyl-9-echimidinylretronecine
- ECHIMIDINE, (+)-
- HY-124050
- 31NEL09379
- (1R,7aR)-7-((((R)-2,3-Dihydroxy-2-((S)-1-hydroxyethyl)-3-methylbutanoyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (Z)-2-methylbut-2-enoate
- CHEMBL2269162
- L-THREO-PENTITOL, 1,5-DIDEOXY-2-C-METHYL-3-C-((((1R,7AR)-2,3,5,7A-TETRAHYDRO-1-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-1H-PYRROLIZIN-7-YL)METHOXY)CARBONYL)-
- AKOS040761651
- Echimidine 100 microg/mL in Water
- SCHEMBL3414540
- ECHIMIDINE
- 520-68-3
- 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-(1alpha(Z),7(2R*,3S*),7abeta))-
- UNII-31NEL09379
- 2-BUTENOIC ACID, 2-METHYL-, 7-((2,3-DIHYDROXY-2-(1- HYDROXYETHYL)-3-METHYL-1-OXOBUTOXY)METHYL)-2,3,5,7A- TETRAHYDRO-1H-PYRROLIZIN-1-YL ESTER
- ECHIMIDINE [HSDB]
- HSDB 3483
- CHEBI:4744
- NS00067006
- 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester
- Cynoglossofin
- Cyanoglossophine
- Heliosupin
- Cynoglossophine
- 7-Angelyl-9-echimidinylheliotridine
- Cynoglossofine
- Heliosupine
- Echimidine perchlorate
- [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
- DA-52796
-
- Inchi: 1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1
- InChI Key: HRSGCYGUWHGOPY-LYHHMGRNSA-N
- SMILES: O(C(/C(=C\C)/C)=O)[C@@H]1CCN2CC=C(COC([C@@]([C@H](C)O)(C(C)(C)O)O)=O)[C@@H]21
Computed Properties
- Exact Mass: 397.21000
- Monoisotopic Mass: 397.21
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 9
- Complexity: 684
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 117A^2
- XLogP3: -0.1
Experimental Properties
- Color/Form: Powder
- Density: 1.26±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: Not available
- Boiling Point: 520.9°C (rough estimate)
- Flash Point: 277.8°C
- Refractive Index: 1.5614 (estimate)
- Solubility: Slightly soluble (1.2 g/l) (25 o C),
- PSA: 116.53000
- LogP: 0.24260
- Vapor Pressure: 0.0±3.2 mmHg at 25°C
(+)-Echimidine Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number:UN 3077 9 / PGIII
- Safety Instruction: H303+H313+H333
- HazardClass:6.1(b)
- PackingGroup:III
- Storage Condition:?20°C
(+)-Echimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN3913-1 mg |
Echimidine |
520-68-3 | 1mg |
¥2475.00 | 2022-04-26 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | E28520-5mg |
(7aR)-7-[(Ξ)-2,3-dihydroxy-2-((Ξ)-1-hydroxy-ethyl)-3-methyl-butyryloximethyl]-1c-(2-methyl-cis-crotonoyloxy)-(7ar)-2,3,5,7a-tetrahydro-1H-pyrrolizin |
520-68-3 | ,HPLC≥95% | 5mg |
¥8548.0 | 2023-09-08 | |
| TRC | E325580-0.25mg |
(+)-Echimidine |
520-68-3 | 0.25mg |
$ 360.00 | 2022-06-05 | ||
| TRC | E325580-0.5mg |
(+)-Echimidine |
520-68-3 | 0.5mg |
$ 695.00 | 2022-06-05 | ||
| TRC | E325580-1mg |
(+)-Echimidine |
520-68-3 | 1mg |
$ 1350.00 | 2022-06-05 | ||
| TargetMol Chemicals | TN3913-1 mg |
Echimidine |
520-68-3 | 98% | 1mg |
¥ 2,475 | 2023-07-11 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-497376-1mg |
(+)-Echimidine, |
520-68-3 | 1mg |
¥2557.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-497376A-10mg |
(+)-Echimidine, |
520-68-3 | 10mg |
¥14290.00 | 2023-09-05 | ||
| TargetMol Chemicals | TN3913-1mg |
Echimidine |
520-68-3 | 1mg |
¥ 2475 | 2024-07-20 | ||
| PhytoLab | 86541-50mg |
Echimidine perchlorate |
520-68-3 | ≥ 90.0 % | 50mg |
€1863 | 2023-10-25 |
(+)-Echimidine Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
Additional information on (+)-Echimidine
Comprehensive Guide to (+)-Echimidine (CAS No. 520-68-3): Properties, Applications, and Research Insights
(+)-Echimidine (CAS No. 520-68-3) is a naturally occurring pyrrolizidine alkaloid found in certain plants of the Boraginaceae family. This compound has garnered significant attention in phytochemical research due to its unique structure and potential biological activities. As interest in plant-derived compounds grows, researchers are increasingly exploring the pharmacological properties of (+)-Echimidine and its analogs.
The molecular formula of (+)-Echimidine is C20H31NO6, with a molecular weight of 381.47 g/mol. Its structure features a characteristic pyrrolizidine core, which is common among bioactive alkaloids. Recent studies have focused on the stereochemistry of (+)-Echimidine, as its chiral centers play a crucial role in its interactions with biological systems. The compound's physicochemical properties, including solubility and stability, make it an interesting subject for drug discovery research.
In the context of current natural product research trends, (+)-Echimidine has been investigated for its potential bioactive effects. While not approved for medicinal use, preliminary studies suggest it may influence certain cellular pathways. Researchers emphasize the importance of understanding its structure-activity relationship, particularly in comparison to other pyrrolizidine alkaloids. The scientific community continues to debate the therapeutic potential versus safety profile of such compounds.
The biosynthesis of (+)-Echimidine in plants has become a hot topic in plant biochemistry. Scientists are particularly interested in the enzymatic pathways responsible for its production, as this knowledge could enable biotechnological production or metabolic engineering approaches. Recent advances in analytical chemistry techniques have improved our ability to detect and quantify (+)-Echimidine in complex plant matrices.
From an ecological perspective, (+)-Echimidine serves as a plant defense compound against herbivores. This has led to interesting discussions about the co-evolution of plants and insects, with some species developing resistance to these alkaloid defenses. The compound's presence in certain medicinal plants has also raised questions about traditional herbal medicine safety, making it relevant to current phytopharmaceutical quality control discussions.
In the analytical chemistry field, methods for (+)-Echimidine detection have evolved significantly. Modern chromatographic techniques coupled with mass spectrometry now allow for precise quantification at trace levels. These advancements support ongoing toxicological studies and help establish safety thresholds for products containing related plant constituents.
The global research landscape for (+)-Echimidine reflects growing interest in specialized plant metabolites. While most studies remain at the preclinical research stage, the compound serves as an important chemical marker for certain plant species. Its study contributes to broader understanding of plant secondary metabolism and the ecological roles of alkaloids.
Future research directions for (+)-Echimidine may include structure modification studies to explore potential bioactivity optimization, as well as more detailed investigations into its molecular targets. As natural product research continues to intersect with drug discovery and plant biotechnology, compounds like (+)-Echimidine will likely remain important subjects of scientific inquiry.
For researchers working with (+)-Echimidine (CAS No. 520-68-3), proper handling protocols and analytical standards are essential. The compound's chemical characterization requires specialized expertise in alkaloid chemistry, and its study contributes valuable knowledge to the broader field of plant natural products research.
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