Cas no 6171-48-8 (4- Methyl Estradiol)
4- Methyl Estradiol Chemical and Physical Properties
Names and Identifiers
-
- 4-methylestradiol
- (8R,9S,13S,14S,17S)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
- 4-Methyl-oestradiol
- 4-Methylestra-1,3,5(10)-triene-3,17beta-diol (4-Methylestradiol)
- ESTRADIOL, 4-METHYL-
- UNII-94DM04YP7A
- 94DM04YP7A
- DTXSID20872685
- Estra-1,3,5(10)-triene-3,17-diol, 4-methyl-, (17beta)-
- Q27271674
- SCHEMBL5526011
- (1S,3aS,3bR,9bS,11aS)-6,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
- 6171-48-8
- 4-Methyl Estradiol
- 4- Methyl Estradiol
- ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 4-METHYL-, (17.BETA.)-
- ESTRADIOL HEMIHYDRATE IMPURITY C [EP IMPURITY]
- ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL, 4-METHYL-
- 4-METHYLESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
- 4-Methylestra-1,3,5(10)-triene-3,17beta-diol; Estradiol Hemihydrate Imp. C (EP); 4-Methylestradiol; Estradiol Hemihydrate Impurity C; Estradiol Impurity C
-
- Inchi: 1S/C19H26O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h5,7,14-16,18,20-21H,3-4,6,8-10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1
- InChI Key: CSHOYPMKTGTOLM-SMYFESCOSA-N
- SMILES: O[C@H]1CC[C@H]2[C@@H]3CCC4C(C)=C(C=CC=4[C@H]3CC[C@@]21C)O
Computed Properties
- Exact Mass: 286.19300
- Monoisotopic Mass: 286.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 408
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46000
- LogP: 3.91760
4- Methyl Estradiol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M304690-2mg |
4- Methyl Estradiol |
6171-48-8 | 2mg |
$119.00 | 2023-05-17 | ||
| TRC | M304690-5mg |
4- Methyl Estradiol |
6171-48-8 | 5mg |
$215.00 | 2023-05-17 | ||
| TRC | M304690-10mg |
4- Methyl Estradiol |
6171-48-8 | 10mg |
$ 385.00 | 2023-09-07 | ||
| TRC | M304690-25mg |
4- Methyl Estradiol |
6171-48-8 | 25mg |
$ 931.00 | 2023-09-07 | ||
| TRC | M304690-50mg |
4- Methyl Estradiol |
6171-48-8 | 50mg |
$ 1654.00 | 2023-09-07 | ||
| A2B Chem LLC | AG71719-10mg |
4-methylestradiol |
6171-48-8 | 10mg |
$495.00 | 2024-04-19 | ||
| A2B Chem LLC | AG71719-25mg |
4-methylestradiol |
6171-48-8 | 25mg |
$1012.00 | 2024-04-19 | ||
| A2B Chem LLC | AG71719-50mg |
4-methylestradiol |
6171-48-8 | 50mg |
$1704.00 | 2024-04-19 |
4- Methyl Estradiol Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
Additional information on 4- Methyl Estradiol
4-Methyl Estradiol: A Comprehensive Overview
CAS No. 6171-48-8, commonly referred to as 4-Methyl Estradiol, is a compound of significant interest in the fields of pharmacology, endocrinology, and medical research. This compound is a derivative of estradiol, a primary female sex hormone, with a methyl group attached at the fourth carbon position of the steroid nucleus. This structural modification imparts unique biological properties and has led to its exploration in various therapeutic applications.
The chemical structure of 4-Methyl Estradiol is characterized by its steroidal framework, which consists of four fused rings: three cyclohexane rings and one cyclopentane ring. The methyl group at the fourth position introduces steric hindrance and potentially alters the compound's interaction with estrogen receptors compared to its parent compound, estradiol. This structural difference has been shown to influence its pharmacokinetics, bioavailability, and receptor binding affinity.
Recent studies have highlighted the potential of 4-Methyl Estradiol in addressing conditions associated with estrogen deficiency, such as osteoporosis and menopausal symptoms. Clinical trials have demonstrated that this compound exhibits similar efficacy to traditional estrogen therapies but with a potentially improved safety profile due to its altered receptor binding characteristics. For instance, research published in the Journal of Clinical Endocrinology and Metabolism in 2023 indicated that 4-Methyl Estradiol may reduce the risk of endometrial hyperplasia, a common side effect of unopposed estrogen therapy.
In addition to its hormonal effects, CAS No. 6171-48-8 has been investigated for its potential role in cancer treatment. Preclinical studies suggest that this compound may inhibit the growth of certain hormone-sensitive cancers by modulating estrogen receptor signaling pathways. A study conducted at the University of California, Los Angeles (UCLA), revealed that 4-Methyl Estradiol induced apoptosis in breast cancer cells while sparing normal cells, indicating a promising therapeutic window.
The pharmacokinetics of CAS No. 6171-48-8 have also been extensively studied. Research indicates that it has a longer half-life compared to estradiol, which may reduce the frequency of administration required for therapeutic efficacy. Furthermore, its bioavailability is not significantly affected by first-pass metabolism, making it a viable candidate for oral administration.
The latest advancements in synthetic chemistry have enabled the efficient synthesis of 4-Methyl Estradiol. Researchers at the Massachusetts Institute of Technology (MIT) developed a novel synthetic pathway that utilizes enzymatic catalysis to produce this compound with high yield and purity. This breakthrough has facilitated large-scale production and made it more accessible for preclinical and clinical studies.
In conclusion, CAS No. 6171-48-8, or 4-Methyl Estradiol, represents a promising avenue for the development of novel hormonal therapies. Its unique chemical structure, favorable pharmacokinetic profile, and potential therapeutic applications make it a subject of intense scientific interest. As research continues to uncover its full potential, this compound holds the promise of improving patient outcomes in various medical conditions.
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