(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
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![(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/749b59457f00472f9cdbdd1893b78a0c.png "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid")
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
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CAS No:
85803-34-5
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Formula:
C19H19FN8O5
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Chemical Name:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
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Synonyms:
3'-fluoroaminopterin;3'-fluoroaminopterin disodium salt;3'-Fluoroaminopterin;85803-34-5;(4-(((2,4-diaminopteridin-6-yl)methyl)amino)-3-fluorobenzoyl)-L-glutamic acid;DTXSID401006390;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid;L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)-3-fluorobenzoyl)-;N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid;N-[(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl]amino}-3-fluorophenyl)(hydroxy)methylidene]glutamic acid
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CAS No:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid Basic Attributes
458.4 g/mol
458.14624390 g/mol
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.)
3'-fluoroaminopterin
Computed Properties
Molecular Weight:458.4
XLogP3:-1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:458.14624390
Monoisotopic Mass:458.14624390
Topological Polar Surface Area:219
Heavy Atom Count:33
Complexity:718
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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