Cas no 545-51-7 (Scillaridine)

Scillaridine structure
Scillaridine structure
Product Name:Scillaridine
CAS No:545-51-7
MF:C24H30O3
MW:366.493207454681
CID:1589662
PubChem ID:3582957
Update Time:2025-07-13

Scillaridine Chemical and Physical Properties

Names and Identifiers

    • (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide
    • 14β-Hydroxybufa-3,5,20,22-tetrenolide
    • 5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
    • 14-Hydroxybufa-3,5,20,22-tetrenolide
    • Scillaridin A
    • Bufa-3,5,20,22-tetraenolide, 14-hydroxy-
    • SCHEMBL21578395
    • Scillaridine
    • Inchi: 1S/C24H30O3/c1-22-12-4-3-5-17(22)7-8-20-19(22)10-13-23(2)18(11-14-24(20,23)26)16-6-9-21(25)27-15-16/h3,5-7,9,15,18-20,26H,4,8,10-14H2,1-2H3
    • InChI Key: KBOQXVVZFSWICE-UHFFFAOYSA-N
    • SMILES: OC12CCC(C3=COC(=O)C=C3)C1(CCC1C3(CCC=CC3=CCC21)C)C

Computed Properties

  • Exact Mass: 366.21949481g/mol
  • Monoisotopic Mass: 366.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 1
  • Complexity: 802
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 46.5?2

Scillaridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
S224930-50mg
Scillaridine
545-51-7
50mg
$ 155.00 2022-06-03
TRC
S224930-100mg
Scillaridine
545-51-7
100mg
$ 260.00 2022-06-03
TRC
S224930-250mg
Scillaridine
545-51-7
250mg
$ 515.00 2022-06-03

Additional information on Scillaridine

Compound Introduction: (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide (CAS No. 545-51-7)

Introducing the compound (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide, identified by its CAS number 545-51-7, a molecule of significant interest in the field of chemobiology and pharmaceutical research. This triterpenoid derivative has garnered attention due to its unique structural features and potential biological activities. The compound belongs to the bufadienolide class, a group of natural products known for their diverse pharmacological properties.

The molecular structure of (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide is characterized by a complex arrangement of double bonds and hydroxyl groups, which contribute to its distinctive chemical profile. The presence of four double bonds in the ring system (specifically at positions 3, 5, 20, and 22) and a hydroxyl group at position 14 makes this compound a promising candidate for further investigation in medicinal chemistry.

In recent years, there has been growing interest in triterpenoids due to their potential therapeutic applications. Research has demonstrated that many bufadienolides exhibit anti-inflammatory, antifungal, and even anticancer properties. The specific configuration of (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide suggests that it may interact with biological targets in novel ways, offering opportunities for the development of new drugs.

One of the most compelling aspects of this compound is its structural similarity to other bufadienolides that have already shown promise in clinical trials. For instance, compounds likeobufenone andobufuenolide have been studied for their effects on cardiac function and inflammation. The research on these molecules has provided valuable insights into the pharmacological mechanisms of bufadienolides, which can be leveraged when exploring the potential of (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide.

The synthesis of (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide presents unique challenges due to its complex stereochemistry. However, advances in synthetic chemistry have made it increasingly feasible to produce such molecules with high precision. Techniques such as asymmetric hydrogenation and enzymatic resolution have been particularly useful in constructing the intricate ring system found in this compound.

Recent studies have also highlighted the importance of stereochemistry in the biological activity of triterpenoids. The specific arrangement of double bonds and functional groups in (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide may play a crucial role in determining its interactions with biological targets. This underscores the need for detailed structural analysis and characterization to fully understand its pharmacological potential.

The pharmacological evaluation of (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide is currently underway in several research laboratories. Initial studies have shown promising results in cell-based assays where the compound demonstrates inhibitory effects on certain enzymes and pathways associated with inflammation and cell proliferation. These findings are particularly intriguing given the well-documented roles of bufadienolides in modulating these processes.

In addition to its potential therapeutic applications,(8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide may also serve as a valuable scaffold for drug discovery. Its complex structure provides numerous opportunities for chemical modification, allowing researchers to fine-tune its properties for specific applications。 This flexibility makes it an attractive candidate for developing novel therapeutics targeting various diseases.

The future prospects for (8xi,9xi)-14-hydroxybufa-3,5,20,22-tetraenolide are promising,with ongoing research aimed at elucidating its mechanism of action and optimizing its pharmacological properties。 As our understanding of triterpenoids continues to grow, compounds like this are likely to play an increasingly important role in the development of new medicines.

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