CAS 6681-13-6

(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline

Description:

The chemical substance with the name "(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline" and CAS number "6681-13-6" is a complex organic compound characterized by a multi-ring structure that incorporates various functional groups, including methoxy and ethylene moieties. Its stereochemistry is defined by specific configurations at multiple chiral centers, which contribute to its potential biological activity. The presence of multiple methoxy groups suggests that it may exhibit unique solubility and reactivity properties. Additionally, the compound's intricate framework indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The structural complexity may also influence its interactions with biological targets, making it a subject of interest for further research in drug design and synthesis. Overall, this compound exemplifies the diversity and intricacy found in organic chemistry, particularly in the realm of natural product derivatives.

Formula: C₃₉H₄₄N₂O₇

InChI: InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

InChI key: InChIKey=FUZMQNZACIFDBL-KYJUHHDHSA-N

SMILES: O(C)C1=C2C3=C(C(OC)=C1OC)CCN(C)[C@]3(CC=4C=C(C(OC)=CC4)OC=5C=CC(C[C@]6(C7=CC(O2)=C(OC)C=C7CCN6C)[H])=CC5)[H]

Synonyms:

• (+)-Hernandezine
• (4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline
• 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-, (4aS,16aS)-
• 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, berbaman deriv.
• Berbaman, 5,6,6',7,12-pentamethoxy-2,2'-dimethyl-, (1beta)-
• Berbaman, 5,6,6′,7,12-pentamethoxy-2,2′-dimethyl-, (1β)-
• Hernandesine
• Thalicsimine
• (1beta)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman

Hernandezine

CAS: 6681-13-6

Hernandezine is an activator of AMPK activator and a selective reversing agent for ABCB1-mediated MDR in cancer cells.

Formula: C₃₉H₄₄N₂O₇

Purity: 99.53%

Color and Shape: Solid

Molecular weight: 652.78

Ref: TM-TN1731

Hernandezine

CAS: 6681-13-6

Hernandezine

Purity: ≥98%

Molecular weight: 652.78g/mol

Ref: 54-BUP20032

Hernandezine

CAS: 6681-13-6

Formula: C₃₉H₄₄N₂O₇

Molecular weight: 652.79

Ref: 7W-GY7574

Hernandezine

CAS: 6681-13-6

Formula: C₃₉H₄₄N₂O₇

Purity: 95%~99%

Molecular weight: 652.788

Ref: BP-BP0721

Hernandezine

Controlled Product

CAS: 6681-13-6

Applications Hernandezine is a novel anticancer AMPK activator identified as a major major active constituent of Thalictrum Ranunculaceae.
References Song, Y. et al.: J. Pharm. Biomed. Anal., 141, 132 (2017);

Formula: C₃₉H₄₄N₂O₇

Color and Shape: Neat

Molecular weight: 652.776

Ref: TR-H288945

Hernandezine

CAS: 6681-13-6

Hernandezine is a natural compound that belongs to the class of bisbenzylisoquinoline alkaloids. It is extracted from the bark of Quillaja saponaria, a chinese herb. Hernandezine has been shown to induce autophagy and inhibit lipid accumulation in hl-60 cells. This drug also has antitumor and antimetastatic effects on brain tumor cells, as well as anti-inflammatory properties. Hernandezine inhibits Ca2+ uptake in mitochondria, which can lead to cell death. Hernandezine has been shown to be a potential drug transporter for fat cells and may have immunosuppressive effects on autoimmune diseases such as diabetes or arthritis.

Formula: C₃₉H₄₄N₂O₇

Purity: Min. 95%

Molecular weight: 652.8 g/mol

Ref: 3D-GAA68113

HERNANDEZINE

CAS: 6681-13-6

Formula: C₃₉H₄₆N₂O₇

Purity: 98.0%

Molecular weight: 654.7917

Ref: IN-DA00FF71