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Title: Novel Metal Ion Based Estrogen Mimics for Molecular Imaging

Abstract

The overall objective of the SBIR Phase I proposal is to prepare and evaluate a new class of {sup 99m}Tc or {sup 94m}Tc containing estrogen-like small molecules ('estrogen mimics') for SPECT or PET molecular imaging of estrogen receptor positive (ER+) tumors. In this approach, the metal ion is integrated into the estrone skeleton by isosteric substitution of a carbon atom in the steroidal structure to give new class of mimics that are topologically similar to the native estrogen (Fig. 1). Although both N{sub 2}S{sub 2} and N{sub 3}S mimics 1 and 2 were considered as target structures, molecular modeling study revealed that the presence of the acetyl group at position-15 in the N{sub 3}S mimic 2 causes steric hinderance toward binding of 2 to SHBG. Therefore, initial efforts were directed at the synthesis and evaluation of the N{sub 2}S{sub 2} mimic 1.

Authors:
Publication Date:
Research Org.:
Bioflexis
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
875440
Report Number(s):
DOE/ER/83908-2 Final Report
TRN: US201218%%963
DOE Contract Number:
FG02-04ER83908
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATOMS; CARBON; ESTROGENS; ESTRONE; EVALUATION; NEOPLASMS; SIMULATION; SINGLE PHOTON EMISSION COMPUTED TOMOGRAPHY; SKELETON; SYNTHESIS; TARGETS; Steroid mimics, estrogen mimics, estrogen receptors, ER positive tumors, molecular imaging, and metal-based estrogen mimics.

Citation Formats

Rajagopalan, Raghavan. Novel Metal Ion Based Estrogen Mimics for Molecular Imaging. United States: N. p., 2006. Web. doi:10.2172/875440.
Rajagopalan, Raghavan. Novel Metal Ion Based Estrogen Mimics for Molecular Imaging. United States. doi:10.2172/875440.
Rajagopalan, Raghavan. Mon . "Novel Metal Ion Based Estrogen Mimics for Molecular Imaging". United States. doi:10.2172/875440. https://www.osti.gov/servlets/purl/875440.
@article{osti_875440,
title = {Novel Metal Ion Based Estrogen Mimics for Molecular Imaging},
author = {Rajagopalan, Raghavan},
abstractNote = {The overall objective of the SBIR Phase I proposal is to prepare and evaluate a new class of {sup 99m}Tc or {sup 94m}Tc containing estrogen-like small molecules ('estrogen mimics') for SPECT or PET molecular imaging of estrogen receptor positive (ER+) tumors. In this approach, the metal ion is integrated into the estrone skeleton by isosteric substitution of a carbon atom in the steroidal structure to give new class of mimics that are topologically similar to the native estrogen (Fig. 1). Although both N{sub 2}S{sub 2} and N{sub 3}S mimics 1 and 2 were considered as target structures, molecular modeling study revealed that the presence of the acetyl group at position-15 in the N{sub 3}S mimic 2 causes steric hinderance toward binding of 2 to SHBG. Therefore, initial efforts were directed at the synthesis and evaluation of the N{sub 2}S{sub 2} mimic 1.},
doi = {10.2172/875440},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jan 30 00:00:00 EST 2006},
month = {Mon Jan 30 00:00:00 EST 2006}
}

Technical Report:

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