Cas no 1359847-37-2 (4-Methyl Estradiol 17-Valerate)

4-Methyl Estradiol 17-Valerate is a synthetic estrogen derivative characterized by the addition of a methyl group at the 4-position and a valerate ester at the 17-position of the estradiol backbone. This structural modification enhances its lipophilicity, improving absorption and prolonging its half-life compared to unmodified estradiol. The valerate ester also allows for sustained release, making it suitable for formulations requiring prolonged estrogenic activity. Its selective estrogenic effects are leveraged in research and pharmaceutical applications, particularly in hormone therapy studies. The compound’s stability and predictable pharmacokinetics make it a valuable reference standard in analytical and biochemical research.
4-Methyl Estradiol 17-Valerate structure
1359847-37-2 structure
Product Name:4-Methyl Estradiol 17-Valerate
CAS No:1359847-37-2
MF:C24H34O3
MW:370.524967670441
CID:1070880
PubChem ID:71587988
Update Time:2025-06-08

4-Methyl Estradiol 17-Valerate Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl Estradiol
    • 4-Methyl Estradiol 1
    • [(8R,9S,13S,14S,17S)-3-hydroxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
    • UNII-5PDP2ZZR0N
    • 3-Hydroxy-4-methylestra-1,3,5(10)-trien-17beta-yl Pentanoate (4-Methylestradiol Valerate)
    • Estradiol Valerate Imp. D (EP); 3-Hydroxy-4-methylestra-1,3,5(10)-trien-17beta-yl Pentanoate; 4-Methylestradiol Valerate; Estradiol Valerate Impurity D
    • ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 4-METHYL-, 17-PENTANOATE, (17.BETA.)-
    • (8R,9S,13S,14S,17S)-3-Hydroxy-4,13-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl Pentanoate (Estradiol Impurity pound(c)
    • DTXSID30159611
    • 1359847-37-2
    • Q27262689
    • CS-0166060
    • 1,3,5(10)-ESTRATRIEN-4-METHYL-3,L7-BETA-DIOL
    • 4-Methylestradiol 17-valerate
    • 5PDP2ZZR0N
    • 4-Methyl Estradiol 17-Valerate
    • ESTRADIOL VALERATE IMPURITY D [EP IMPURITY]
    • Inchi: 1S/C24H34O3/c1-4-5-6-23(26)27-22-12-10-20-19-8-7-16-15(2)21(25)11-9-17(16)18(19)13-14-24(20,22)3/h9,11,18-20,22,25H,4-8,10,12-14H2,1-3H3/t18-,19-,20+,22+,24+/m1/s1
    • InChI Key: HYULKAMCRUYZJT-KVMFQRFPSA-N
    • SMILES: O(C(CCCC)=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: 370.25100
  • Monoisotopic Mass: 370.25079494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 546
  • 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: 6.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 495.1±45.0 °C at 760 mmHg
  • Flash Point: 192.7±21.5 °C
  • PSA: 46.53000
  • LogP: 5.65870
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

4-Methyl Estradiol 17-Valerate Security Information

4-Methyl Estradiol 17-Valerate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M304675-1mg
4-Methyl Estradiol 17-Valerate
1359847-37-2
1mg
$ 207.00 2023-09-07
TRC
M304675-10mg
4-Methyl Estradiol 17-Valerate
1359847-37-2
10mg
$ 1642.00 2023-09-07
TRC
M304675-50mg
4-Methyl Estradiol 17-Valerate
1359847-37-2
50mg
$ 695.00 2023-09-07
TRC
M304675-100mg
4-Methyl Estradiol 17-Valerate
1359847-37-2
100mg
$ 1200.00 2023-09-07

Additional information on 4-Methyl Estradiol 17-Valerate

4-Methyl Estradiol 17-Valerate (CAS No. 1359847-37-2): A Comprehensive Overview

4-Methyl Estradiol 17-Valerate (CAS No. 1359847-37-2) is a synthetic estrogen derivative that has garnered significant attention in the fields of endocrinology and pharmacology due to its unique chemical structure and potential therapeutic applications. This compound is a modified form of estradiol, a key female sex hormone, with a methyl group attached to the estradiol core and a valerate ester at the C17 position. The structural modifications confer specific properties that make it an interesting candidate for various research and clinical studies.

The chemical formula of 4-Methyl Estradiol 17-Valerate is C26H40O3, and it has a molecular weight of approximately 392.6 g/mol. The compound is typically synthesized through a series of chemical reactions, including esterification and methylation, which are well-documented in the literature. The resulting product is a white to off-white crystalline solid with good solubility in organic solvents such as ethanol and dimethyl sulfoxide (DMSO).

In terms of its biological activity, 4-Methyl Estradiol 17-Valerate exhibits potent estrogenic effects, which are mediated through binding to estrogen receptors (ERs). Estrogen receptors are nuclear receptors that play crucial roles in regulating gene expression and cellular processes in various tissues, including the reproductive system, bones, and cardiovascular system. Recent studies have shown that this compound can activate both ERα and ERβ subtypes, although with varying affinities and potencies.

The therapeutic potential of 4-Methyl Estradiol 17-Valerate has been explored in several areas. One of the primary applications is in the treatment of postmenopausal symptoms, such as hot flashes and vaginal atrophy, which are common issues faced by women during menopause. Clinical trials have demonstrated that this compound can effectively alleviate these symptoms with fewer side effects compared to traditional estrogen therapies. Additionally, it has shown promise in preventing osteoporosis by promoting bone density and reducing the risk of fractures.

Beyond its use in women's health, 4-Methyl Estradiol 17-Valerate has also been investigated for its potential benefits in other medical conditions. For instance, preclinical studies have suggested that it may have neuroprotective properties, potentially useful in treating neurodegenerative diseases such as Alzheimer's disease. The compound's ability to modulate inflammation and oxidative stress pathways makes it an attractive candidate for further research in this area.

In the realm of cancer research, 4-Methyl Estradiol 17-Valerate has been studied for its potential role in breast cancer therapy. While estrogenic compounds can sometimes promote the growth of estrogen receptor-positive (ER+) breast cancers, recent findings indicate that certain structural modifications can alter this effect. Specifically, the methyl group at the C4 position and the valerate ester at C17 may influence receptor binding dynamics and downstream signaling pathways, leading to different biological outcomes. This makes 4-Methyl Estradiol 17-Valerate an intriguing subject for further investigation in cancer biology.

The safety profile of 4-Methyl Estradiol 17-Valerate is another important aspect of its development as a therapeutic agent. Preclinical toxicology studies have generally shown favorable results, with no significant adverse effects observed at therapeutic doses. However, as with any new drug candidate, comprehensive safety assessments are essential before advancing to human trials. Ongoing research aims to further elucidate the long-term safety and efficacy of this compound across different patient populations.

In conclusion, 4-Methyl Estradiol 17-Valerate (CAS No. 1359847-37-2) represents a promising advancement in the field of endocrinology and pharmacology. Its unique chemical structure and biological activities make it a valuable tool for both basic research and clinical applications. As ongoing studies continue to uncover new insights into its mechanisms of action and therapeutic potential, this compound is poised to play an important role in improving health outcomes for various patient populations.

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