BGC 945
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BGC 945
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CAS No:
501332-69-0
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Formula:
C32H33N5O10
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Chemical Name:
BGC 945
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Synonyms:
D-Glutamic acid,N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-;D-Glutamic acid,N-[4-[2-propynyl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-1H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-;N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-D-glutamic acid;CB 300945 (S);BGC 945;ONX 0801;Idetrexed;1356166-41-0
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CAS No:
Description
Idetrexed is an alpha-folate receptor (aFR)-mediated inhibitor of thymidylate synthase (TS), with potential antineoplastic activity. Upon intravenous infusion, idetrexed selectively targets and binds to aFR-expressing tumor cells. Upon uptake by aFR, this agent binds to and inhibits TS. This reduces thymine nucleotide synthesis, inhibits both DNA synthesis and cell division, and leads to tumor cell apoptosis. TS catalyzes the conversion of deoxyuridine monophosphate (dUMP) to deoxythymidine monophosphate (dTMP), an essential precursor for DNA synthesis, and plays a key role in cell growth and division. aFR, a cell-surface receptor glycoprotein, is overexpressed on various tumor cell types, but is minimally expressed by normal, healthy tissue.
Computed Properties
Molecular Weight:647.6
XLogP3:0.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:15
Exact Mass:647.22274227
Monoisotopic Mass:647.22274227
Topological Polar Surface Area:235
Heavy Atom Count:47
Complexity:1300
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes