Methotrexate-gamma-dimethylamide

(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid

Also Known As: Mxt-gamma-dma|Methotrexate Dimethylamide|Methotrexate-gamma-dimethylamide|Methotrexate Impurity 20|Methotrexate Dimethylamide (>90%)|Methotrexate Dimethylamide (>85%)|(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid|L-Glutamine, N2-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl|n2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-n,n-dimethyl-l-glutamine|N2-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-L-glutamine|L-Glutamine, N2-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-|(S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-(dimethylamino)-5-oxopentanoic acid|2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid|L-Glutamine, N(sup 2)-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N,N-dimethyl-|L-Glutamine, N2-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-; N2-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-L-glutamine; NSC 281286; (2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino]benzo|N2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-N5,N5-dimethyl-L-glutamine

Molecular Formula	C22H27N9O4
Molecular Weight	481.2186 g/mol
LogP	0.27
Topological Polar Surface Area	193.55 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	481.2186
Heavy Atoms	35
Complexity	1247.7

Chemical Identifiers

CAS Number	71074-44-7
SMILES	CN(C)C(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N