Cas no 112188-16-6 (Des(2-Hydroxypropyl) Gadoteridol)

Des(2-Hydroxypropyl) Gadoteridol is a modified derivative of Gadoteridol, a gadolinium-based contrast agent used in magnetic resonance imaging (MRI). This compound is designed to enhance imaging by improving relaxivity and stability while reducing potential side effects. The removal of hydroxypropyl groups alters its pharmacokinetic profile, potentially offering better tissue specificity and lower osmolality compared to its parent compound. Its optimized structure may also contribute to reduced gadolinium retention, addressing safety concerns associated with long-term exposure. Suitable for preclinical and clinical research, Des(2-Hydroxypropyl) Gadoteridol serves as a valuable tool for advanced diagnostic imaging applications.
Des(2-Hydroxypropyl) Gadoteridol structure
112188-16-6 structure
Product Name:Des(2-Hydroxypropyl) Gadoteridol
CAS No:112188-16-6
MF:C14H23GdN4O6
MW:500.605623483658
CID:180513
PubChem ID:450234
Update Time:2025-05-22

Des(2-Hydroxypropyl) Gadoteridol Chemical and Physical Properties

Names and Identifiers

    • Gadolinium,[1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7]-
    • gadolinium(III) 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
    • (1,4,7,10-Tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7)gadolinium
    • 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid monogadolinium salt
    • Des(2-hydroxypropyl) gadoteridol
    • Gd-DO 3A
    • Gadolinium(III) 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
    • Gadolinium, [1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kappaN1,kappaN4,kappaN7,kappaN10,kappaO1,kappaO4,kappaO7]-
    • Gadolinium 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
    • (1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, MONOGADOLINIUM SALT)
    • 2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
    • SCHEMBL1052374
    • Gadolinium(III)2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
    • [1,4,7,10-Tetraazacyclododecane-1,4,7-triacetato(3-)-kappaN1,kappaN4,kappaN7,kappaN10,kappaO1,kappaO4,kappaO7]gadolinium
    • 112188-16-6
    • 2-(4,7-BIS(CARBOXYLATOMETHYL)-1,4,7,10-TETRAZACYCLODODEC-1-YL)ACETATEGADOLINIUM(3+)
    • Gadobutrol Impurity 3
    • MOLI000606
    • 3JHB4H1GFV
    • Des(2-Hydroxypropyl) Gadoteridol
    • Inchi: 1S/C14H26N4O6.Gd/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24);/q;+3/p-3
    • InChI Key: SGPXHPCSEYUXPA-UHFFFAOYSA-K
    • SMILES: [Gd+3].[O-]C(CN1CCN(CC(=O)[O-])CCNCCN(CC(=O)[O-])CC1)=O

Computed Properties

  • Exact Mass: 501.08600
  • Monoisotopic Mass: 501.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 387
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 142A^2

Experimental Properties

  • Density: g/cm3
  • Melting Point: >225 deg C
  • Boiling Point: 617.6°Cat760mmHg
  • Flash Point: 327.3°C
  • PSA: 142.14000
  • LogP: -6.11220

Des(2-Hydroxypropyl) Gadoteridol Security Information

Des(2-Hydroxypropyl) Gadoteridol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D290340-10mg
Des(2-Hydroxypropyl) Gadoteridol
112188-16-6
10mg
$ 249.00 2023-09-08
TRC
D290340-25mg
Des(2-Hydroxypropyl) Gadoteridol
112188-16-6
25mg
$ 500.00 2023-09-08
TRC
D290340-50mg
Des(2-Hydroxypropyl) Gadoteridol
112188-16-6
50mg
$ 822.00 2023-09-08
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
1287653-50MG
Gadoteridol Related Compound B
112188-16-6 United States Pharmacopeia (USP) Reference Standard
50MG
¥13963.35 2022-02-21
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
1287653-50MG
112188-16-6
50MG
¥14821.96 2023-01-05
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
1287653-50MG
112188-16-6
50MG
¥10636.77 2023-04-13

Additional information on Des(2-Hydroxypropyl) Gadoteridol

Research Briefing on Des(2-Hydroxypropyl) Gadoteridol (CAS: 112188-16-6): Recent Advances and Applications

Des(2-Hydroxypropyl) Gadoteridol (CAS: 112188-16-6) is a derivative of the widely used gadolinium-based contrast agent (GBCA), Gadoteridol. This compound has garnered significant attention in recent years due to its potential applications in magnetic resonance imaging (MRI) and its improved safety profile compared to traditional GBCAs. Recent studies have focused on optimizing its pharmacokinetic properties, reducing gadolinium retention in tissues, and exploring novel diagnostic and therapeutic applications. This briefing provides an overview of the latest research developments related to Des(2-Hydroxypropyl) Gadoteridol, highlighting key findings and future directions.

One of the primary motivations behind the development of Des(2-Hydroxypropyl) Gadoteridol is the growing concern over gadolinium deposition in the brain and other tissues following repeated administration of GBCAs. Studies have shown that this modified compound exhibits reduced gadolinium retention while maintaining high relaxivity, a critical factor for effective MRI contrast. Recent preclinical evaluations have demonstrated its enhanced safety profile, with minimal accumulation in the brain and kidneys, making it a promising candidate for clinical use in patients requiring multiple MRI scans.

In addition to its improved safety, Des(2-Hydroxypropyl) Gadoteridol has been investigated for its potential in targeted imaging. Researchers have explored its conjugation with various biomolecules to enable specific tissue or disease targeting. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported the successful conjugation of Des(2-Hydroxypropyl) Gadoteridol with a tumor-specific peptide, resulting in enhanced contrast in tumor-bearing mouse models. This approach opens new avenues for precision diagnostics and could significantly improve the detection of early-stage malignancies.

Another area of active research is the development of multifunctional agents based on Des(2-Hydroxypropyl) Gadoteridol. Recent work has focused on combining its imaging capabilities with therapeutic payloads, such as chemotherapeutic drugs or radionuclides. A 2024 study in Advanced Healthcare Materials detailed the synthesis of a theranostic nanoparticle incorporating Des(2-Hydroxypropyl) Gadoteridol, which demonstrated simultaneous MRI contrast enhancement and controlled drug release in response to tumor microenvironment stimuli. Such innovations hold great promise for personalized medicine and integrated diagnostic-therapeutic approaches.

Despite these advancements, challenges remain in the clinical translation of Des(2-Hydroxypropyl) Gadoteridol. Regulatory considerations, large-scale synthesis, and comprehensive toxicity studies are critical steps that need to be addressed. However, the compound's unique properties and versatility position it as a valuable tool in the evolving landscape of contrast-enhanced imaging and theranostics. Future research is expected to focus on further optimizing its chemical structure, expanding its applications, and conducting rigorous clinical trials to validate its efficacy and safety in human subjects.

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