(2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid
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![(2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5acb4cb29ebe4b56944d2e020a188e69.png "(2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid")
(2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid
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CAS No:
108743-20-0
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Formula:
C20H20ClN9O4
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Chemical Name:
(2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid
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Synonyms:
Meapa-acivicin; (N-(4-Amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid;
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CAS No:
(2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid Basic Attributes
485.88400
485.1326778 g/mol
DTXSID30148727
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.)
(N-(4-amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
Computed Properties
Molecular Weight:485.9
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:485.1326778
Monoisotopic Mass:485.1326778
Topological Polar Surface Area:195
Heavy Atom Count:34
Complexity:781
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
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2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
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