Glutaminase C-IN-1
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Glutaminase C-IN-1
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CAS No:
311795-38-7
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Formula:
C27H27BrN2O
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Chemical Name:
Glutaminase C-IN-1
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Synonyms:
5-[3-BroMo-4-(diMethylaMino)phenyl]-2,3,5,6-tetrahydro-2,2-diMethylbenzo[a]phenanthridin-4(1H)-one;Glutaminase C-IN-1;Glutaminase C-IN-1 (968);Glutaminase Inhibitor Compound 968;glutaminase inhibitor 968
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CAS No:
Description
Glutaminase C-IN-1 (968) is an allosteric inhibitor of Glutaminase C that inhibits cancer cell growth without affecting their normal cellular counterparts.
5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is a partially hydrogenated benzophenanthridine carrying an oxo group at C-4, geminal methyl groups at C-2 and a 3-bromo-4-(dimethylamino)phenyl group at C-5. It has a role as an EC 3.5.1.2 (glutaminase) inhibitor.
Drug Information
5-(3-bromo-4-(dimethylamino)phenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo(a)phenanthridin-4(1H)-one
Computed Properties
Molecular Weight:475.4
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:474.13068
Monoisotopic Mass:474.13068
Topological Polar Surface Area:32.3
Heavy Atom Count:31
Complexity:744
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes