Cas no 98974-90-4 (myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)-)

The compound 1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)-myo-Inositol is a protected derivative of myo-inositol, featuring isopropylidene and benzyl ether groups at specific hydroxyl positions. This structural modification enhances stability and selectivity, making it valuable in synthetic organic chemistry, particularly in carbohydrate and nucleoside synthesis. The isopropylidene groups provide acid-labile protection, while the benzyl groups offer stability under basic conditions, allowing for controlled deprotection strategies. Its well-defined stereochemistry and protective group arrangement facilitate precise functionalization of the inositol core, supporting applications in medicinal chemistry and biochemical research. The compound is typically used as an intermediate in the synthesis of complex bioactive molecules.
myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)- structure
98974-90-4 structure
Product Name:myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)-
CAS No:98974-90-4
MF:C26H32O6
MW:440.528688430786
CID:802150
PubChem ID:13966106
Update Time:2025-10-28

myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)-
    • AGN-PC-00OIKG
    • DL-1,2:4,5-BIS-O-(1-METHYLETHYLIDENE)-3,6-BIS-O-(PHENYLMETHYL)-MYO-INOSITOL
    • DTXSID20553422
    • 98974-90-4
    • 4,8-Bis(benzyloxy)-2,2,6,6-tetramethylhexahydro-2H,6H-benzo[1,2-d:4,5-d']bis[1,3]dioxole
    • DL-1,2,4,5-bis-o-(1-Methylethylidene)-3,6-bis-o-(phenylmethyl)-myo-inositol
    • Inchi: 1S/C26H32O6/c1-25(2)29-21-19(27-15-17-11-7-5-8-12-17)23-24(32-26(3,4)31-23)20(22(21)30-25)28-16-18-13-9-6-10-14-18/h5-14,19-24H,15-16H2,1-4H3
    • InChI Key: GVSFMNAITONPJR-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)OC2C(C3C(C(C12)OCC1C=CC=CC=1)OC(C)(C)O3)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 440.21988874g/mol
  • Monoisotopic Mass: 440.21988874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 6
  • Complexity: 542
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 55.4?2

myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1673109-100mg
4,8-Bis(benzyloxy)-2,2,6,6-tetramethylhexahydrobenzo[1,2-d:4,5-d']bis([1,3]dioxole)
98974-90-4 98%
100mg
¥1150.00 2024-04-23
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1673109-1g
4,8-Bis(benzyloxy)-2,2,6,6-tetramethylhexahydrobenzo[1,2-d:4,5-d']bis([1,3]dioxole)
98974-90-4 98%
1g
¥3343.00 2024-04-23

Additional information on myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl)-

Myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl): A Comprehensive Overview

Myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl) is a complex oligomer derived from myo-inositol, a naturally occurring isomer of inositol. This compound has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. The presence of multiple alkylidene and benzyl substituents introduces distinct chemical functionalities that influence its reactivity and biological interactions.

The synthesis of this compound involves intricate organic chemistry techniques, including protection-deprotection strategies to selectively modify the hydroxyl groups of myo-inositol. The introduction of (1-methylethylidene) groups at the 1,2 and 4,5 positions enhances the compound's stability and introduces new sites for potential biological activity. Additionally, the substitution with phenylmethyl (benzyl) groups at the 3 and 6 positions further diversifies its chemical profile, making it a versatile scaffold for drug discovery.

Recent studies have highlighted the potential of this compound in modulating various cellular pathways. Its structure resembles that of gangliosides, which are known to play crucial roles in cell signaling and membrane dynamics. The bulky substituents may interfere with interactions at cell surface receptors, potentially leading to novel therapeutic effects. For instance, research has suggested that such modifications could enhance the compound's ability to interact with specific enzymes involved in metabolic disorders.

In the context of neuroscience, Myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl) has been explored for its potential role in modulating neurotransmitter release and synaptic plasticity. The benzyl groups may interact with presynaptic proteins, influencing the release of neurotransmitters such as dopamine and serotonin. Preliminary studies in model systems have shown promising results in terms of improving synaptic transmission and reducing inflammation associated with neurodegenerative diseases.

The compound's stability under various physiological conditions makes it an attractive candidate for further development as a prodrug or a pharmaceutical intermediate. Its ability to undergo controlled hydrolysis to release active species could enhance bioavailability and reduce toxicity. This aspect is particularly relevant in the development of targeted therapies where precise delivery and controlled release are critical.

From a material science perspective, the unique structure of Myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl) also opens up possibilities for its use in advanced materials. For example, its rigid framework could be exploited to develop novel polymers or coatings with enhanced mechanical properties. Additionally, its ability to self-assemble into ordered structures might be leveraged for creating functional nanostructures used in drug delivery systems.

The synthesis and characterization of this compound have been aided by advanced analytical techniques such as Nuclear Magnetic Resonance (NMR) spectroscopy and Mass Spectrometry (MS). These tools have provided detailed insights into its molecular structure and purity. Furthermore, computational methods like Molecular Dynamics (MD) simulations have been employed to predict its behavior in different environments. Such computational studies are crucial for understanding its interactions at the molecular level and for designing derivatives with improved properties.

The potential applications of Myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl) extend beyond pharmaceuticals into other areas such as cosmetics and nutraceuticals. Its structural analogs have been found to exhibit antioxidant properties due to the presence of aromatic rings and hydroxyl groups. This has led to interest in developing it as an ingredient in skincare products or dietary supplements aimed at promoting overall health.

In conclusion, Myo-Inositol,1,2:4,5-bis-O-(1-methylethylidene)-3,6-bis-O-(phenylmethyl) represents a fascinating example of how structural modifications can lead to novel compounds with diverse applications. Its synthesis challenges highlight the ingenuity required in modern organic chemistry while its potential benefits underscore the importance of continued research in this field. As our understanding of biological systems grows more sophisticated so too does our ability to design molecules that can interact with them in meaningful ways.

Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.