4BM

N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide


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Chemical Component Summary

NameN-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
IdentifiersN-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodo-phenyl)amino]benzamide
FormulaC16 H14 F3 I N2 O4
Molecular Weight482.193
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O
InChIInChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
InChIKeySUDAHWBOROXANE-SECBINFHSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count1
Bond Count41
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07101 
NameMirdametinib
Groups investigational
DescriptionPD-0325901 has been used in trials studying the treatment and basic science of Melanoma, Solid Tumour, Solid Tumors, Advanced Cancer, and Breast Neoplasms, among others.
Synonyms
  • N-[(2R)-2,3 Dihydroxypropoxy]-3,4 Difluro-2 -[(2-Fluoro-4-Iodophenyl)Amino] Benzamide
  • PD 0325901
  • Mirdametinib
  • PD-0325901
  • Benzamide, N-((2R)-2,3-dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-
Categories
  • Acids, Carbocyclic
  • Amides
  • Amines
  • Aniline Compounds
  • Benzene Derivatives
CAS number391210-10-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Dual specificity mitogen-activated protein kinase kinase 1MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL507361
PubChem 9826528
ChEMBL CHEMBL507361
ChEBI CHEBI:88249