850807-63-5
Product Name:
RSM932A
Formula:
C46H38BrCl2N4+
Synonyms:
1,1′-[[[1,1′-Biphenyl]-4,4′-diyl]bis(methylene)]bis[4-[(4-chlorophenyl)methylamino]-quinolinium] bromide;1,1′-[[1,1′-Biphenyl]-4,4′-diylbis(methylene)]bis[4-[(4-chlorophenyl)methylamino]-quinolinium dibromide (9CI);RSM 932A;TCD-717
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COMPUTED DESCRIPTORS
| Molecular Weight | 877.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 876.08198 g/mol |
| Monoisotopic Mass | 874.08403 g/mol |
| Topological Polar Surface Area | 14.2 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 990 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Choline Kinase Alpha Inhibitor TCD-717 is a small-molecule inhibitor of choline kinase alpha (CHKA), with potential antineoplastic activity. TCD-717 targets and binds to CHKA, an enzyme that plays a key role in the synthesis of phosphatidylcholine, the major phospholipid in eukaryotic cell membranes. Blockade of this enzyme induces cells to activate a different route for phospholipid production which causes a toxic effect and eventually leads to cell destruction. CHKA, overexpressed in human cancer cells while only minimally expressed in normal cells, appears to play a significant role in cellular proliferation, evasion of apoptosis, increased cell motility and metastasis.