Cas no 1038922-95-0 (b-D-Glucopyranoside, (3b,25R)-17-hydroxyspirost-5-en-3-yl3-O-(6-deoxy-a-L-mannopyranosyl)-)
b-D-Glucopyranoside, (3b,25R)-17-hydroxyspirost-5-en-3-yl3-O-(6-deoxy-a-L-mannopyranosyl)- Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranoside, (3b,25R)-17-hydroxyspirost-5-en-3-yl3-O-(6-deoxy-a-L-mannopyranosyl)-
- Mannioside A
- 17ALPHA-METHYL-4-ANDROSTEN-17BETA-OL-3-ONE
- 17ALPHA-METHYLTESTOSTERONE
- 4-ANDROSTEN-17ALPHA-METHYL-17BETA-OL-3-ONE
- manioside A
- MESTERONE
- METANDREN
- penmesterol
- Penmestrol
- (3beta,25R)-17-Hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
- Pennogenin 3-O-α-L-rhamnopyranosyl-(1→3)-β-D-glucopyranoside
- [ "Pennogenin 3-O-α-L-rhamnopyranosyl-(1→3)-β-D-glucopyranoside" ]
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
- 3beta,17alpha-dihydroxyspirost-5-ene-3-O-alpha-L-rhamnopyranosyl-(1->3)-beta-D-glucopyranoside
- CHEMBL1169844
- FS-10092
- CS-0023895
- (3,25R)-17-Hydroxyspirost-5-en-3-yl 3-O-(6-deoxy--L-mannopyranosyl)--D-glucopyranoside
- AKOS032961689
- Pennogenin-3-O-alpha-L-rhamnopyranosyl-(1->3)-beta-D-glucopyranoside
- Q27135284
- W-200710
- CHEBI:66665
- 1038922-95-0
- HY-N3323
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- Inchi： 1S/C39H62O13/c1-18-8-13-38(47-17-18)20(3)39(46)27(52-38)15-25-23-7-6-21-14-22(9-11-36(21,4)24(23)10-12-37(25,39)5)49-35-32(45)33(29(42)26(16-40)50-35)51-34-31(44)30(43)28(41)19(2)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39-/m1/s1
- InChI Key： PESPHCXEIPYBIA-ROYLHSTISA-N
- SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@]2([C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O
Computed Properties
- Exact Mass: 738.41900
- Monoisotopic Mass: 738.419
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 52
- Rotatable Bond Count: 5
- Complexity: 1370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 21
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 197A^2
- XLogP3: 1.7
Experimental Properties
- Color/Form: Powder
- Density: 1.4±0.1 g/cm3
- Boiling Point: 881.7±65.0 °C at 760 mmHg
- Flash Point: 487.0±34.3 °C
- PSA: 196.99000
- LogP: 1.50480
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
b-D-Glucopyranoside, (3b,25R)-17-hydroxyspirost-5-en-3-yl3-O-(6-deoxy-a-L-mannopyranosyl)- Security Information
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4 ℃, better at -4 ℃
b-D-Glucopyranoside, (3b,25R)-17-hydroxyspirost-5-en-3-yl3-O-(6-deoxy-a-L-mannopyranosyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TargetMol Chemicals | TN4493-1 ml * 10 mm |
Mannioside A |
1038922-95-0 | 1 ml * 10 mm |
￥ 5360 | 2024-07-19 | ||
| TargetMol Chemicals | TN4493-1 mg |
Mannioside A |
1038922-95-0 | 98% | 1mg |
￥ 1,520 | 2023-07-10 | |
| TargetMol Chemicals | TN4493-1 mL * 10 mM (in DMSO) |
Mannioside A |
1038922-95-0 | 98% | 1 mL * 10 mM (in DMSO) |
￥ 5360 | 2023-09-15 | |
| TargetMol Chemicals | TN4493-1mg |
Mannioside A |
1038922-95-0 | 1mg |
￥ 1520 | 2024-07-19 | ||
| Biosynth | MM15822-1 mg |
Mannioside A |
1038922-95-0 | 1mg |
$179.03 | 2023-01-03 | ||
| Biosynth | MM15822-5 mg |
Mannioside A |
1038922-95-0 | 5mg |
$760.85 | 2023-01-03 | ||
| Biosynth | MM15822-10 mg |
Mannioside A |
1038922-95-0 | 10mg |
$1,217.40 | 2023-01-03 |
b-D-Glucopyranoside, (3b,25R)-17-hydroxyspirost-5-en-3-yl3-O-(6-deoxy-a-L-mannopyranosyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on b-D-Glucopyranoside, (3b,25R)-17-hydroxyspirost-5-en-3-yl3-O-(6-deoxy-a-L-mannopyranosyl)-
B-D-Glucopyranoside, (3β,25R)-17-Hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl): A Comprehensive Overview of Its Chemical Properties and Emerging Applications
The compound CAS no. 1038922-95-0, identified as B-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl), represents a fascinating molecule with significant implications in the field of chemobiology and pharmaceutical research. This glycoside derivative belongs to a class of compounds that exhibit remarkable structural complexity and biological activity. The unique arrangement of its steroid backbone and carbohydrate moieties positions it as a promising candidate for further investigation in drug discovery and therapeutic development.
At the core of this compound's structure lies a steroidal aglycone, specifically (3β,25R)-17-hydroxyspirost-5-en-3-yl, which is known for its potential biological interactions. The presence of a glucopyranoside moiety at the 3-O position and a 6-deoxy-α-L-mannopyranosyl group at the 3-O position further enhances its complexity. Such structural features are often associated with molecules that exhibit strong binding affinities to biological targets, making them valuable in the development of novel therapeutic agents.
Recent advancements in glycoscience have highlighted the importance of glycosidic linkages in modulating biological activity. The B-D-Glucopyranoside moiety, in particular, has been extensively studied for its role in cell signaling and immune modulation. When combined with the (3β,25R)-17-hydroxyspirost-5-en-3-yl backbone, this compound gains additional potential for interaction with enzymes and receptors involved in critical physiological pathways. This synergistic effect suggests that the compound may exhibit multifaceted biological functions.
The 6-deoxy-α-L-mannopyranosyl group adds another layer of complexity to the molecule. Mannose derivatives are well-known for their roles in cellular recognition processes, including interactions with lectins and other carbohydrate-binding proteins. The modification at the 6-deoxy position may influence the conformational flexibility and solubility of the compound, potentially affecting its bioavailability and pharmacokinetic properties. These attributes make it an intriguing subject for further pharmacological exploration.
In the context of contemporary research, this compound aligns with ongoing efforts to develop targeted therapies based on natural product-inspired scaffolds. Steroids and their derivatives have long been a cornerstone of pharmacological research due to their structural versatility and biological efficacy. The introduction of carbohydrate moieties into these frameworks often enhances their therapeutic potential by improving target specificity and reducing side effects.
One particularly exciting area of research involves the exploration of steroid glycosides as anti-inflammatory agents. Studies have demonstrated that certain glycosidic steroids can modulate inflammatory pathways by interacting with nuclear receptors such as peroxisome proliferator-activated receptors (PPARs) and farnesoid X receptors (FXRs). The B-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl) structure may possess similar properties, making it a candidate for developing novel anti-inflammatory drugs.
Furthermore, the compound's potential as an immunomodulator has not been overlooked. Glycosides are known to influence immune responses by interacting with various cellular components. The specific arrangement of sugars in this molecule could enable it to modulate immune cell function without triggering off-target effects. This capability is particularly relevant in the context of autoimmune diseases and chronic inflammation, where precise control over immune responses is crucial.
The synthesis and characterization of this compound have also contributed to advancements in synthetic chemistry. The development of efficient methods for constructing complex glycosidic linkages has been a significant challenge in organic chemistry. The successful synthesis of B-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl) represents a notable achievement in this domain, paving the way for similar approaches in other glycoside-based drug candidates.
Evaluation techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography have been instrumental in elucidating the structure-property relationships of this compound. These analytical methods provide detailed insights into its molecular conformation and interactions with biological targets. Such information is critical for optimizing its pharmacological profile and ensuring its suitability for therapeutic applications.
The potential applications of this compound extend beyond traditional pharmaceuticals. Researchers are increasingly exploring its use in nutraceuticals and functional foods due to its bioactive properties. Glycosides derived from natural sources are often considered safe and well-tolerated by humans when used appropriately. This makes B-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl) an attractive candidate for formulations aimed at promoting health and wellness.
In conclusion, B-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl) represents a structurally complex yet promising compound with significant potential in various fields of biomedical research. Its unique combination of steroidal and glycosidic moieties positions it as a valuable tool for drug discovery efforts aimed at modulating inflammation, immune responses, and other critical physiological processes. Continued investigation into this molecule is warranted to fully realize its therapeutic potential.
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