Cas no 143-62-4 (Digitoxigenin)
Digitoxigenin Chemical and Physical Properties
Names and Identifiers
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- Card-20(22)-enolide,3,14-dihydroxy-, (3b,5b)-
- Digitoxigenin
- 3b,14-Dihydroxy-5b-card-20(22)-enolide
- DIGITOXIGENIN(RG)
- 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- 3beta,14-Dihydroxy-5beta-card-20(22)-enolide
- (+)-Digitoxigenin
- Cerberigenin
- NSC 407806
- delta20:22-3,14,21-Trihydroxynorcholenic acid lactone
- echujetin
- evonogenin
- THEVETIGENIN
- DIGITOXYGENIN
- digitoxigenine
- 5β,20(22)-Cardenolide-3β
- 3-beta,14-dioxy-digen-(20:22)-olid
- Uzarigenin
- MLS002153810
- S63WOD4VOL
- XZTUSOXSLKTKJQ-CESUGQOBSA-N
- SMR001233182
-
- MDL： MFCD00003687
- Inchi： 1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
- InChI Key： XZTUSOXSLKTKJQ-CESUGQOBSA-N
- SMILES： O([H])[C@]12C([H])([H])C([H])([H])[C@]([H])(C3=C([H])C(=O)OC3([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21[H])O[H]
Computed Properties
- Exact Mass: 374.24600
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 686
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 66.8
- Surface Charge: 0
Experimental Properties
- Color/Form: Columnar crystallization
- Density: 1.231±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 253°C(lit.)
- Boiling Point: 423.5°C (rough estimate)
- Refractive Index: 1.4433 (estimate)
- Solubility: Almost insoluble (0.09 g/l) (25 o C),
- PSA: 66.76000
- LogP: 3.60430
- Merck: 3162
- Specific Rotation: D17 +19.1° (c = 1.36 in methanol)
Digitoxigenin Security Information
-
Symbol:
- Prompt：dangerous
- Signal Word：Danger
- Hazard Statement： H300
- Warning Statement： P264-P270-P301+P310+P330-P405-P501
- Hazardous Material transportation number：UN 3462 6.1/PG 2
- WGK Germany：3
- Hazard Category Code： 25
- Safety Instruction： S45
- RTECS：FH4975000
-
Hazardous Material Identification：
- Packing Group：II
- Hazard Level：6.1(a)
- Safety Term：6.1(a)
- Packing Group：II
- Risk Phrases：R25
- HazardClass：6.1
- PackingGroup：II
- Storage Condition：(BD124985)
Digitoxigenin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D0541-10mg |
Digitoxigenin |
143-62-4 | 97.0%(LC) | 10mg |
￥605.0 | 2022-06-10 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | D9404-10MG |
Digitoxigenin |
143-62-4 | 10MG |
￥891.38 | 2022-02-23 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | D9404-100MG |
Digitoxigenin |
143-62-4 | 100MG |
￥5466.85 | 2022-02-23 | ||
| abcr | AB141765-10 mg |
Digitoxigenin; . |
143-62-4 | 10 mg |
€221.70 | 2023-07-20 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67212-5mg |
Digitoxigenin |
143-62-4 | 98% | 5mg |
￥528.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67212-10mg |
Digitoxigenin |
143-62-4 | 98% | 10mg |
￥888.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67212-25mg |
Digitoxigenin |
143-62-4 | 98% | 25mg |
￥1975.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67212-50mg |
Digitoxigenin |
143-62-4 | 98% | 50mg |
￥3333.00 | 2022-04-26 | |
| TRC | D445540-25mg |
Digitoxigenin |
143-62-4 | 25mg |
$ 184.00 | 2023-09-07 | ||
| TRC | D445540-250mg |
Digitoxigenin |
143-62-4 | 250mg |
$ 1455.00 | 2023-09-07 |
Digitoxigenin Suppliers
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Digitoxigenin Related Literature
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Sasilada Sirirungruang,Collin R. Barnum,Sophia N. Tang,Patrick M. Shih Nat. Prod. Rep. 2023 40 1170
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Sasilada Sirirungruang,Collin R. Barnum,Sophia N. Tang,Patrick M. Shih Nat. Prod. Rep. 2023 40 1170
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Hong-Ying Yang,Ya-Xiong Chen,Shangwen Luo,Yi-Lin He,Wei-Jiao Feng,Yue Sun,Jian-Jun Chen,Kun Gao RSC Adv. 2022 12 23240
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Jing Zeng,Guangfei Sun,Ruobin Wang,Shuxin Zhang,Shuang Teng,Zhiwen Liao,Lingkui Meng,Qian Wan Org. Chem. Front. 2017 4 2450
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N. Chen,J. Xie Org. Biomol. Chem. 2016 14 11028
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cardenolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Cardenolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Alcohol/Ether
Additional information on Digitoxigenin
Recent Advances in Digitoxigenin (143-62-4) Research: A Comprehensive Review
Digitoxigenin (CAS: 143-62-4), a cardenolide derivative, has garnered significant attention in recent years due to its potential therapeutic applications, particularly in oncology and cardiovascular diseases. This research brief synthesizes the latest findings on Digitoxigenin, focusing on its molecular mechanisms, pharmacological properties, and emerging clinical applications. The compound's unique ability to modulate Na+/K+-ATPase activity and its role in inducing apoptosis in cancer cells have positioned it as a promising candidate for further drug development.
Recent studies have elucidated the structural-activity relationship (SAR) of Digitoxigenin, highlighting the importance of its lactone ring and hydroxyl groups in binding to the Na+/K+-ATPase pump. Advanced computational modeling and X-ray crystallography have provided unprecedented insights into these interactions, paving the way for the design of more potent analogs. Furthermore, in vitro and in vivo experiments have demonstrated Digitoxigenin's efficacy against various cancer cell lines, including breast, lung, and prostate cancers, with minimal cytotoxicity to normal cells.
One of the most groundbreaking developments is the discovery of Digitoxigenin's role in modulating autophagy and endoplasmic reticulum (ER) stress in cancer cells. A 2023 study published in the Journal of Medicinal Chemistry revealed that Digitoxigenin induces ER stress-mediated apoptosis via the PERK-eIF2α-ATF4-CHOP pathway, offering a novel mechanism for its anti-cancer effects. This finding has opened new avenues for combination therapies, particularly with proteasome inhibitors and other ER stress inducers.
In addition to its anti-cancer properties, Digitoxigenin has shown promise in cardiovascular research. A recent clinical trial demonstrated its potential as a cardiotonic agent, improving cardiac output in patients with congestive heart failure. The compound's ability to enhance myocardial contractility without significantly altering heart rate makes it a safer alternative to traditional digitalis glycosides. However, further pharmacokinetic studies are needed to optimize dosing regimens and minimize potential side effects.
The synthesis and production of Digitoxigenin have also seen significant advancements. Green chemistry approaches, including biocatalysis and microwave-assisted synthesis, have improved yield and reduced environmental impact. These innovations are crucial for scaling up production to meet the growing demand for Digitoxigenin in both research and clinical settings.
Despite these promising developments, challenges remain in the clinical translation of Digitoxigenin-based therapies. Issues such as bioavailability, tissue specificity, and potential drug interactions need to be addressed through further research. Collaborative efforts between academia and industry are essential to overcome these hurdles and fully realize the therapeutic potential of this remarkable compound.
In conclusion, Digitoxigenin (143-62-4) continues to be a focal point of research in chemical biology and medicinal chemistry. Its diverse pharmacological effects and relatively low toxicity profile make it an attractive candidate for drug development. Future studies should focus on optimizing its structure for enhanced efficacy and safety, as well as exploring its potential in combination therapies for complex diseases.
143-62-4 (Digitoxigenin) Related Products
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