MEF

N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid


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Chemical Component Summary

NameN-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid
Synonyms5,10-methylene,5,6,7,8-tetrahydrofolate
Identifiers(2S)-2-[[4-[(6aR,8R)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[3,4-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid
FormulaC20 H23 N7 O6
Molecular Weight457.44
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N
InChIInChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1
InChIKeyQYNUQALWYRSVHF-OLZOCXBDSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count2
Bond Count59
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB12676 
NameModufolin
Groups investigational
DescriptionModufolin is under investigation for the treatment of Osteosarcoma.
Synonyms
  • (6R,S)5,10-methylene-tetrahydrofolic acid
  • 6R-MTHF
  • D-N5,N10-METHYLENE-L-TETRAHYDROFOLIC ACID
  • (6R)-5,10-METHYLENETETRAHYDROFOLATE
  • Modufolin
CAS number31690-11-6

Related Resource References

Resource NameReference
PubChem 5288808, 445117, 135398645
ChEMBL CHEMBL1234270
ChEBI CHEBI:1989