Small Molecule methotrexate

URN urn:agi-cas:59-05-2
Total Entities 16
Connectivity 3913
Name methotrexate
Molecular Weight 476.429000
XLogP -1.800000
ObjectType Small Molecule

ChildConcepts folate
dichloromethotrexate
D-amethopterin
9-methyl pteroylglutamic acid
methopterin
3',5'-difluoromethotrexate
4-aminopteroylaspartic acid
isoaminopterin
gamma-tert-butyl methotrexate
7-hydroxymethotrexate
tetrahydroamethopterin
gamma-tBAMT
gamma-fluoromethotrexate
2-desamino-2-methylaminopterin
folate polyglutamate
aminopterin

Pathway Acute Myeloid Leukemia
B-Cell Acute Lymphoblastic Leukemia
T-Cell Acute Lymphoblastic Leukemia
Anti-psoriatic drugs influence PPARG signaling

MedScan ID 1209078

Alias Methylaminopterinum
DL-N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-Glutamic acid
L-glutamyl 3-4-3H
methohexate
DRG-0024
methyl aminopterin
R 9985
N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamate
ametopterine
[3',5',9-3H]methotrexate
Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, sodium salt
L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamate
Folex for injection
EINECS 231-022-0
HDMTX
metothrexate sodium
Methotrexate, Dicesium Salt
Methotrexatum
emt-25299
kyselina 4-desoxy-4-amino-n(sup 10)-methyllistova
emthexat
2 [[4 [[(2,4 diaminopteridin 6 yl)methyl](methyl)amino]benzoyl]amino]pentanedioic acid
methotrate
Metatrexan
nordimet
Methotrexate
N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamate
methotrexate gamma-mono t-butyl ester
2 [[4 [[(2,4 diamino 6 pteridinyl)methyl](methyl)amino]benzoyl]amino]pentanedioic acid
4-Amino-N10-methylpteroyl-L-glutamic acid
Methotrexate, (DL)-Isomer
N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid
N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-Glutamic acid L-(+)-disodium salt
L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, sodium salt
Folex
CL-14377
Folex-Pfs
mpi 5004
texorate
A-Methpterin
Methotrexate, Sodium Salt
Methotrexate Hydrate
Kyselina 4-amino-N10-methylpteroylglutamova
canceren
poly(ethylene oxide)-block-poly(2-hydroxyethyl-L-aspartamide)
EMT 25,299
NCI-C04671
metrex
(+)-Amethopterin hydrate
n-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-l-glutamate
lantarel
metotrexate
N-(p-(((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid
4-Amino-N(sup 10)-methylpteroylglutamate
n-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-l-glutamic acid
acide 4-amino 10-methyl folique
Sodium N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamate
l(+)-amethopterin dihydrate
[14C]methotrexate
emtrexate
Sodium L-(+)-methotrexate
meticil
emthexate
reumatrex
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamate
4-amino-n(10)-methylpteroylglutamate
methotrexate preservative free
Kyselina 4-desoxy-4-amino-N10-methyllistova
jylamvo
methotextrate
Amethopterin
[125l]methotrexate
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamicacid
methylaminopterine
metoject
4-Aminomethylpteroylglutamic acid
zexate
methotrexate sodium preservative free
methotrexat
4-Amino-10-methylfolate
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid
Methotrexate monohydrate
(DL)-Isomer of Methotrexate
novatrex
(+)-Amethopterin
HSDB 3123
N-(p-(((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamate
15475-56-6
methoblastin
4-amino-n(10)-methylpteroylglutamic acid
methotrexate or mtx or rheumotrex
L-Amethopterin
n [4 [(2,4 diamino 6 pteridylmethyl)methylamino]benzoyl]glutamic acid
AI3-25299
Disodium methotrexate
N-Bismethylpteroylglutamic acid
Methotrexate sodium (x-Na)
rasuvo
4-Amino-N(sup 10)-methylpteroylglutamic acid disodium salt
Amethopterin sodium
methotrexate lpf
Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova
4-Aminomethylpteroylglutamate
Methotrexate, Disodium Salt
Ledertrexate
Metotrexato
59-05-2
Antifolan
NSC-740
methotrexate,human-mediated
metothrexate
methylaminopterin
IT MTS
biotrexate
4-Amino-N(sup 10)-methylpteroylglutamic acid
L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid
Disodium Salt of Methotrexate
[(3)H]methotrexate
Trexall
Dicesium Salt of Methotrexate
DL-Amethopterin
texate-t
Methotrexat dinatrium
metex
xatmep
xaken
N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamate
Rheumatrex
farmotrex
maxtrex
MeAPA-Glu
otrexup
Sodium methotrexate
n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-l-()-glutamate
metotrexat
4-Amino-10-methylfolic acid
n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-l-()-glutamic acid
EINECS 262-213-7
mexate-aq
L-Methotrexate
farmitrexate
neotrexate
A-Methopterin
texate
Methotrexate sodium
EINECS 200-413-8
4-amino-4-deoxy-n(sup 10)-methylpteroylglutamate
60388-53-6
rheumatrex dose pack
NSC 740
Mexate
EINECS 239-495-5
CCRIS 1109
methrotrexate
4-Amino-N10-methylpteroyl-L-glutamate
Methotrexat-Ebewe
metotrexin
6745-93-3
N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid
Metotressato
intradose MTX
4 amino 10 methylpteroylglutamic acid
enthexate
Sodium Salt of Methotrexate
methoxtrexate
Farmitrexat
a methopterine
Abitrexate
MTX sodium
N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid
mexate-aq preserved
DL-Methotrexate
Disodium N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamate
methotrexato
Kyselina 4-amino-N(sup 10)-methylpteroylglutamova
kyselinan-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-l-glutamova
n-(4((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-l-glutamic
N-Bismethylpteroylglutamate
N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-Glutamic acid sodium salt
antifolate amethopterin
ifamet
N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-Glutamic acid sodium salt
NSC-117356
amethopterine
4-amino-4-deoxy-n(sup 10)-methylpteroylglutamic acid
7413-34-5
MTX disodium

CAS ID 59-05-2
1082707-84-3
7413-34-5
15475-56-6
60388-53-6
6745-93-3

Reaxys ID 12976500
15191926
4219876
4644426
4730582
4730583
5224471
5678284
6042366
6045736
70669
9171329
9600914

ChEBI ID 44185

PharmaPendium ID Methotrexate Sodium

HMDB ID HMDB14703

KEGG ID C01937

InChIKey FBOZXECLQNJBKD-ZDUSSCGKSA-N
FBOZXECLQNJBKD-UHFFFAOYSA-N
FPJYMUQSRFJSEW-ZOWNYOTGSA-N
DASQOOZCTWOQPA-GXKRWWSZSA-L
BKBBTCORRZMASO-ZOWNYOTGSA-M

Molecular Formula C20H22N8O5
C20H24N8O6
C20H20N8Na2O5
C20H21N8NaO5

PubChem SID 134972286
134987860
135018907
135065271
135122321

PubChem CID 126941
11329481
23678981
4112
165528

IUPAC Name 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate
disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutarate
sodium;(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-hydroxy-5-keto-valerate

Rotatable Bond Count 9
7