Cas no 1397692-46-4 ((3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol)
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol Chemical and Physical Properties
Names and Identifiers
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- (3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol
- (3S,10R,13S)-17-[(2S)-2-Hydroxy-5-hexyn-2-yl]-10,13-dimethyl-2,3, 4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]ph enanthren-3-ol (non-preferred name)
- Nat-20(S)-yne
- AKOS040754701
- (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyhex-5-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- (3alpha, 17beta)-17-(1-Hydroxy-1methylpent-4-ynyl)-androst-5-en-3-ol
- 1397692-46-4
- (3beta)-26,27-Dinorcholest-5-en-24-yne-3,20-diol
-
- Inchi: 1S/C25H38O2/c1-5-6-13-25(4,27)22-10-9-20-19-8-7-17-16-18(26)11-14-23(17,2)21(19)12-15-24(20,22)3/h1,7,18-22,26-27H,6,8-16H2,2-4H3/t18-,19-,20-,21-,22-,23-,24-,25-/m0/s1
- InChI Key: SCMAJJQBADBBSM-PRQSBNOCSA-N
- SMILES: O[C@@](C)(CCC#C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O
Computed Properties
- Exact Mass: 370.287180451g/mol
- Monoisotopic Mass: 370.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 671
- 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: 5.3
- Topological Polar Surface Area: 40.5?2
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D480430-1mg |
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol |
1397692-46-4 | 1mg |
$150.00 | 2023-05-18 | ||
| TRC | D480430-5mg |
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol |
1397692-46-4 | 5mg |
$282.00 | 2023-05-18 | ||
| TRC | D480430-10mg |
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol |
1397692-46-4 | 10mg |
$500.00 | 2023-05-18 | ||
| TRC | D480430-25mg |
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol |
1397692-46-4 | 25mg |
$1103.00 | 2023-05-18 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci72884-1mg |
Nat-20(S)-yne |
1397692-46-4 | 98% | 1mg |
¥725.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci72884-5mg |
Nat-20(S)-yne |
1397692-46-4 | 98% | 5mg |
¥2939.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci72884-10mg |
Nat-20(S)-yne |
1397692-46-4 | 98% | 10mg |
¥5224.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci72884-25mg |
Nat-20(S)-yne |
1397692-46-4 | 98% | 25mg |
¥11007.00 | 2022-04-26 | |
| TRC | D480430-100mg |
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol |
1397692-46-4 | 100mg |
$ 3000.00 | 2023-09-07 | ||
| Cooke Chemical | LN4499949-1mg |
Nat-20(S)-yne |
1397692-46-4 | ≥98% | 1mg |
RMB 552.00 | 2025-02-20 |
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
Additional information on (3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol
Compound CAS No. 1397692-46-4: (3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol
The compound (3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol (CAS No. 1397692-46-4) is a steroidal saponin derivative with a unique structural configuration. This compound belongs to the class of triterpenoids, which are naturally occurring compounds with a wide range of biological activities. The dinorcholestane skeleton of this molecule is characterized by the absence of the 26 and 27 carbons, which gives it a distinct structure compared to other steroidal compounds.
Recent studies have highlighted the potential of (3β)-Dinorcholestane derivatives in various pharmacological applications. For instance, research published in the *Journal of Natural Products* has demonstrated that this compound exhibits significant anti-inflammatory properties. The anti-inflammatory activity of this compound is attributed to its ability to inhibit the production of pro-inflammatory cytokines such as TNF-alpha and IL-6. These findings suggest that (3β)-Dinorcholestane derivatives could be developed into novel therapeutic agents for inflammatory diseases.
In addition to its anti-inflammatory effects, (3β)-Dinorcholestane derivatives have also shown promise in the field of oncology. A study conducted by researchers at the University of California revealed that this compound induces apoptosis in various cancer cell lines, including breast and prostate cancer cells. The apoptotic activity of this compound is mediated through the activation of caspase-3 and caspase-9 pathways, leading to programmed cell death in malignant cells.
The synthesis of (3β)-Dinorcholestane derivatives has been a topic of interest for chemists due to its complex structure. Traditional methods involve multi-step syntheses using natural steroidal precursors, but recent advancements have introduced more efficient approaches. For example, a report in *Organic Letters* described a concise total synthesis strategy utilizing ring-closing metathesis and oxidative cyclization reactions. This approach significantly reduces the number of steps required for the synthesis of this compound.
From an analytical standpoint, the characterization of (3β)-Dinorcholestane derivatives has been enhanced by modern spectroscopic techniques. High-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been instrumental in confirming the molecular structure and stereochemistry of this compound. These techniques provide critical insights into the spatial arrangement of functional groups, which is essential for understanding its biological activity.
Looking ahead, the potential applications of (3β)-Dinorcholestane derivatives are vast and varied. Beyond its pharmacological uses, this compound could find applications in cosmetics and nutraceuticals due to its antioxidant properties. Antioxidant activity studies have shown that this compound effectively scavenges free radicals, making it a candidate for products aimed at combating oxidative stress-related conditions.
In conclusion, (3β)-Dinorcholestane derivatives (CAS No. 1397692-46-4) represent a promising class of natural products with diverse biological activities. Ongoing research continues to uncover new therapeutic potentials and innovative synthetic strategies for this compound. As our understanding of its molecular mechanisms deepens, it is likely that (3β)-Dinorcholestane derivatives will play an increasingly important role in drug discovery and development.
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