Cas no 221093-41-0 (16-Epiestriol-d6)
16-Epiestriol-d6 Chemical and Physical Properties
Names and Identifiers
-
- Estra-1,3,5(10)-triene-2,4,15,15,16,17-d6-3,16,17-triol,(16b,17b)- (9CI)
- 16-Epiestriol-d6
- 16-Epiestratriol-d6
- A,17
- Actriol-d6
- A-Estriol-d6
- A-Hydroxyestradiol-d6
- Epiestriol-d6
- NSC 26646-d6
- 221093-41-0
- CS-0203520
- (8R, 9S, 13S, 14S, 16S, 17R)-2, 4, 15, 15, 16, 17-hexadeuterio-13-methyl-7, 8, 9, 11, 12, 14-hexahydro-6H-cyclopenta[a]phenanthrene-3, 16, 17-triol
- (8R,9S,13S,14S,16S,17R)-2,4,15,15,16,17-hexadeuterio-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
- HY-130046S
- (16beta,17beta)-(2,4,15,15,16,17-~2~H_6_)Estra-1,3,5(10)-triene-3,16,17-triol
- J-014506
- DTXSID00747701
- Estra-1,3,5(10)-triene-2,4,15,15,16,17-d6-3,16,17-triol, (16ss,17ss)- (9CI); 16-Epiestriol-d6; (16ss,17ss)-Estra-1,3,5(10)-triene-2,4,15,15,16,17-d6-3,16,17-triol; 16-epi-Estriol-(2,4,15,15,16,17-D6)
-
- Inchi: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1/i3D,8D,9D2,16D,17D
- InChI Key: PROQIPRRNZUXQM-BRKOECIYSA-N
- SMILES: O[C@@]1([2H])[C@]([2H])(C([2H])([2H])[C@H]2[C@@H]3CCC4C([2H])=C(C([2H])=CC=4[C@H]3CC[C@@]21C)O)O
Computed Properties
- Exact Mass: 294.21000
- Monoisotopic Mass: 294.210205099g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 411
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- Density: 1.282
- Melting Point: 289-2910C
- Boiling Point: 469.02°C at 760 mmHg
- Flash Point: 220.828°C
- Refractive Index: 1.624
- PSA: 60.69000
- LogP: 2.58000
16-Epiestriol-d6 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E586502-1mg |
16-Epiestriol-d6 |
221093-41-0 | 1mg |
$ 253.00 | 2023-04-14 | ||
| TRC | E586502-10mg |
16-Epiestriol-d6 |
221093-41-0 | 10mg |
$ 1918.00 | 2023-04-14 | ||
| TRC | E586502-25mg |
16-Epiestriol-d6 |
221093-41-0 | 25mg |
$ 3000.00 | 2023-09-07 |
16-Epiestriol-d6 Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
Additional information on 16-Epiestriol-d6
Introduction to 16-Epiestriol-d6 and Its Significance in Modern Research
The compound CAS no. 221093-41-0, identified as 16-Epiestriol-d6, represents a deuterated derivative of estriol, a naturally occurring estrogenic hormone. This specific isotope-labeled variant has garnered significant attention in the field of pharmaceutical and biochemical research due to its unique properties and applications. 16-Epiestriol-d6 is particularly valuable in studies involving metabolic pathways, drug metabolism, and the development of estrogen-based therapeutics.
Estriol, a weak estrogen, is primarily known for its role in female reproductive health and during pregnancy. Its molecular structure, characterized by three hydroxyl groups, makes it a versatile compound for various biochemical interactions. The deuterium-labeled version, 16-Epiestriol-d6, introduces stable isotopes (deuterium) into the molecule, which aids in tracing metabolic pathways and enhancing the sensitivity of analytical techniques such as mass spectrometry.
In recent years, the demand for isotope-labeled compounds has surged due to their utility in non-invasive diagnostic tools and metabolic studies. 16-Epiestriol-d6 serves as an excellent probe for researchers studying estrogen receptor interactions and the downstream effects of estrogenic compounds. Its application in nuclear magnetic resonance (NMR) spectroscopy has been particularly noteworthy, allowing for high-resolution structural elucidation and dynamic studies.
One of the most compelling aspects of 16-Epiestriol-d6 is its role in understanding the pharmacokinetics of estrogenic drugs. By incorporating deuterium atoms, researchers can differentiate between endogenous estrogens and exogenous compounds, providing clearer insights into drug absorption, distribution, metabolism, and excretion (ADME) profiles. This has been particularly useful in the development of novel treatments for conditions such as osteoporosis, menopausal symptoms, and certain types of cancer.
The use of 16-Epiestriol-d6 has also extended to toxicological studies, where it aids in assessing the potential side effects of estrogenic compounds. By monitoring the metabolic fate of deuterated estrogens, scientists can identify reactive intermediates and assess their toxicity more accurately. This approach has been instrumental in refining safety guidelines for hormone replacement therapies and other estrogen-based medications.
Advancements in synthetic chemistry have made it possible to produce high-purity versions of 16-Epiestriol-d6, ensuring reliable results in research applications. The synthesis typically involves multi-step organic transformations, including stereoselective reductions and functional group interconversions. These processes are optimized to maximize yield and minimize impurities, making the compound suitable for sensitive analytical techniques.
Recent studies have highlighted the importance of 16-Epiestriol-d6 in understanding the mechanisms underlying estrogenic signaling pathways. For instance, research published in leading journals has demonstrated how this compound can be used to investigate the role of estrogens in bone resorption and vascular health. The insights gained from these studies have paved the way for new therapeutic strategies targeting estrogen receptor modulators (SERMs).
The pharmaceutical industry has also embraced 16-Epiestriol-d6 as a key intermediate in drug development. Its stability under various conditions makes it an ideal candidate for formulation studies and pharmacokinetic modeling. Additionally, its use in combination with other labeled compounds allows for comprehensive profiling of drug interactions within biological systems.
In conclusion, 16-Epiestriol-d6 (CAS no. 221093-41-0) is a multifaceted compound with significant implications in both basic research and clinical applications. Its unique properties as a deuterated estrogen derivative make it an invaluable tool for studying metabolic pathways, drug metabolism, and estrogen receptor interactions. As research methodologies continue to evolve, the utility of 16-Epiestriol-d6 is expected to grow further, contributing to advancements in medicine and biotechnology.
221093-41-0 (16-Epiestriol-d6) Related Products
- 1818-12-8(2-Methyl Estradiol)
- 1232-80-0(2-Hydroxyestriol)
- 57-91-0(Alpha-Estradiol)
- 50-27-1(Estriol)
- 50-28-2(Estradiol)
- 1474-53-9(Estriol Methyl Ether)
- 1228-72-4(17-Epiestriol)
- 221093-33-0(2-Hydroxy-17β-estradiol-16,16,17-d5)
- 15183-37-6(Estetrol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)