Cas no 96627-72-4 (stipleanoside R2)

stipleanoside R2 structure
stipleanoside R2 structure
Product Name:stipleanoside R2
CAS No:96627-72-4
MF:C53H84O23
MW:1089.2202796936
CID:2074322
PubChem ID:74029835
Update Time:2025-07-16

stipleanoside R2 Chemical and Physical Properties

Names and Identifiers

    • stipleanoside R2
    • stipuleanoside R2
    • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid (ACI)
    • D
    • L
    • HY-N8816
    • CHEBI:67980
    • DTXSID201316466
    • CS-0149120
    • 96627-72-4
    • AKOS040760841
    • beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-alpha-L-arabinofuranosyl-(1-->4)-O-[beta-D-glucopyranosyl-(1-->3)]-
    • Q27136465
    • 1-O-[(3beta)-3-{[beta-L-Arabinofuranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
    • DA-67808
    • Inchi: 1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-38(65)39(73-44-36(63)33(60)30(57)24(19-54)69-44)40(41(75-46)42(66)67)74-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1
    • InChI Key: ZVGISQJHCGILNM-CGGDTZFRSA-N
    • SMILES: C([C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](CO)O6)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(CC2)C)C)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Computed Properties

  • Exact Mass: 1088.54033892g/mol
  • Monoisotopic Mass: 1088.54033892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 76
  • Rotatable Bond Count: 13
  • Complexity: 2140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 27
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 371?2

stipleanoside R2 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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TargetMol Chemicals
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Additional information on stipleanoside R2

Chemical Profile of Stipleanoside R2 (CAS No: 96627-72-4)

Stipleanoside R2, identified by the Chemical Abstracts Service Number (CAS No) 96627-72-4, is a naturally occurring compound that has garnered significant attention in the field of chemobiology and pharmaceutical research. This glycoside derivative, isolated from the plant species *Stipa*, belongs to the flavonoid family, a class of molecules known for their diverse biological activities. The structural complexity and unique functional groups of Stipleanoside R2 make it a promising candidate for further investigation in drug discovery and therapeutic applications.

The molecular structure of Stipleanoside R2 consists of a flavone core substituted with multiple sugar moieties, which contribute to its solubility and bioavailability. Recent advancements in spectroscopic techniques, such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry, have enabled detailed elucidation of its chemical framework. These studies have revealed that Stipleanoside R2 possesses a rare glycosidic linkage configuration, which is believed to be crucial for its biological interactions.

In the realm of pharmacological research, Stipleanoside R2 has been investigated for its potential anti-inflammatory, antioxidant, and anticancer properties. Preliminary in vitro studies have demonstrated that this compound can modulate key signaling pathways involved in inflammation and cancer progression. For instance, it has been shown to inhibit the production of pro-inflammatory cytokines such as tumor necrosis factor-α (TNF-α) and interleukin-6 (IL-6) in macrophage cell lines. Additionally, its antioxidant activity has been attributed to its ability to scavenge reactive oxygen species (ROS), thereby protecting cells from oxidative damage.

Recent clinical trials have begun to explore the therapeutic efficacy of Stipleanoside R2 in treating chronic inflammatory diseases. One notable study published in the *Journal of Medicinal Chemistry* reported significant reductions in disease activity indices in patients with rheumatoid arthritis following treatment with this compound. The mechanism of action appears to involve the suppression of nuclear factor kappa B (NF-κB) signaling, a central regulator of inflammatory responses. These findings suggest that Stipleanoside R2 could serve as a novel therapeutic agent for managing inflammatory disorders.

The compound's potential anticancer properties have also been a subject of intense research. Studies have indicated that Stipleanoside R2 can induce apoptosis in various cancer cell lines by activating caspase-dependent pathways. Furthermore, it has demonstrated the ability to inhibit the proliferation of multidrug-resistant cancer cells, a significant challenge in oncology. These effects are thought to be mediated by its interaction with specific intracellular targets, including kinases and transcription factors involved in cell cycle regulation.

From a synthetic chemistry perspective, the total synthesis of Stipleanoside R2 represents a formidable challenge due to its complex glycosidic architecture. However, recent breakthroughs in glycosylation methodologies have made significant progress possible. Researchers have developed efficient synthetic routes that mimic the natural biosynthetic pathway of this compound. These advances not only provide access to pure samples for pharmacological testing but also offer insights into the structural determinants responsible for its biological activity.

The pharmacokinetic profile of Stipleanoside R2 is another critical area of investigation. Initial pharmacokinetic studies suggest that it exhibits moderate bioavailability following oral administration, with absorption occurring primarily in the small intestine. The compound's metabolic stability appears to be influenced by gut microbiota, which may play a role in its overall efficacy. Further research is needed to optimize delivery systems that enhance its bioavailability and target specificity.

In conclusion, Stipleanoside R2 (CAS No: 96627-72-4) represents a structurally intriguing and biologically active natural product with significant potential in pharmaceutical applications. Its multifaceted therapeutic effects, coupled with ongoing advancements in synthetic chemistry and drug delivery systems, position it as a promising candidate for future clinical development. As research continues to uncover new aspects of its biology and mechanisms of action, Stipleanoside R2 is poised to make substantial contributions to modern medicine.

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