The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

aminopterin
Synonyms

C19H20N8O5

(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

ID

http://purl.obolibrary.org/obo/dinto_DB08878

binds

http://purl.obolibrary.org/obo/dinto_1600

http://purl.obolibrary.org/obo/dinto_1365

CASRN

54-62-6

DBSynonym

aminopterine

a-ninopterin

4-amino-4-deoxypteroylglutamate

aminopteridine

4'-amino-folsaeure

n-(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)glutamic acid

pteramina

apga

4-aminofolic acid

minopterin

4-amino-pga

4-aminopteroylglutamic acid

Definition

Aminopterin is an amino derivative of folic acid, which was once used as an antineoplastic agent in the treatment of pediatric leukemia. In the 1950 s its production was discontinued in favor of methotrexate, which is less potent but less toxic. Off label, aminopterin has also been used in the treatment of psoriasis. Clinicians need to be aware of the characteristic teratologic effects of aminopterin and methotrexate.

InChI

InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1

InChIKey

InChIKey=TVZGACDUOSZQKY-LBPRGKRZSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_1600

label

aminopterin

prefixIRI

obo2:dinto_DB08878

prefLabel

aminopterin

related with

http://purl.obolibrary.org/obo/dinto_1365

SMILES

NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1

Synonym

C19H20N8O5

(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

xref

Wikipedia:http://en.wikipedia.org/wiki/Aminopterin

ChEBI:376180

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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