disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
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![disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cfb8c24da4d742018ee2c49c01f9f8f0.png "disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate")
disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
structure -
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CAS No:
58602-66-7
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Formula:
C19H18N8Na2O5
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Chemical Name:
disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
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Synonyms:
Aminopterin;Aminopterin Sodium;Aminopterin, Disodium Salt;Disodium Salt Aminopterin;Sodium, Aminopterin;AMINOPTERIN SODIUM;UNII-FZU1QI13O9;FZU1QI13O9;58602-66-7;4-Aminofolic acid sodium salt;Aminopterin sodium [INN:BAN:DCF];4-Aminopteroylglutamic acid sodium salt;Aminopterin sodium (INN);NSC 739 [as the base];CHEMBL2104643;Sodium salt of N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid;D02527;Q27278391;L-Glutamic acid, N-(4-((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, disodium salt;N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid disodium salt
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CAS No:
Description
Aminopterin Sodium is the sodium salt of a pterin derivative with antineoplastic and immunosuppressive properties. As a folate analogue, aminopterin competes for the folate binding site of the enzyme dihydrofolate reductase, thereby blocking tetrahydrofolate synthesis, and resulting in depletion of nucleotide precursors and inhibition of DNA, RNA and protein synthesis. (NCI04)|A folic acid derivative used as a rodenticide that has been shown to be teratogenic.
disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Basic Attributes
484.4 g/mol
484.11955427 g/mol
FZU1QI13O9
C74554
Drug Information
Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Folic Acid Antagonists.)
Aminopterin
Computed Properties
Molecular Weight:484.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:484.11955427
Monoisotopic Mass:484.11955427
Topological Polar Surface Area:225
Heavy Atom Count:34
Complexity:663
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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