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41191-04-2

41191-04-2 structural image
Product Name: Triazinate
Formula: C23H31ClN6O5S
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COMPUTED DESCRIPTORS

Molecular Weight 539.0 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 538.1765170 g/mol
Monoisotopic Mass 538.1765170 g/mol
Topological Polar Surface Area 172 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 800
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 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Triazinate is a synthetic dihydrotriazine derivative with antineoplastic properties. As an antifolate agent related to methotrexate (MTX), triazinate inhibits the enzyme dihydrofolate reductase (DHFR), resulting in decreased tetrahydrofolate production and interference with thymidylate synthesis. Unlike MTX, this agent is not converted to polyglutamate forms. Triazinate also inhibits the transport of folates and may be selectively toxic to MTX-resistant tumor cells. (NCI04)