Aminopterin 0.005μM R07 exp335

Mechanism of Action

Inhibits dihydrofolate reductase (DHFR)

  • Class / Subclass 1: Metabolism / Antimetabolite
  • Class / Subclass 2: DNA Damage, Repair and Replication / Replication Inhibitor

Technical Notes

Compound References

  • PubChem Name: Aminopterin
  • Synonyms: N/A
  • CAS #: 54-62-6
  • PubChem CID: 169371
  • IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • INCHI Name: 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
  • INCHI Key: TVZGACDUOSZQKY-LBPRGKRZSA-N
  • Molecular Weight: 440.4
  • Canonical SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
  • Isomeric SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
  • Molecular Formula: C19H20N8O5

Compound Supplier

  • Supplier Name: Toronto Research Chemicals
  • Catalog #: A628850
  • Lot #: 2-ZNL-62-1

Compound Characterization

  • HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C19H20N8O5 441.16294; found 441.16352

Dose Response Curve

  • Platform ID: Aminopterin
  • Min: -2.1009; Max: 86.4172





IC Concentration (µM)
IC10 N/A
IC20 0.0041
IC30 0.0048
IC40 0.0055
IC50 0.0063
IC60 N/A
IC70 N/A
IC80 N/A
IC90 N/A


Screen Summary

  • Round: 07
  • Dose: 5nM
  • Days of incubation: 8
  • Doublings: 3.2
  • Numbers of reads: 21491796

Screen Results

Sensitive/Resistant hits (FDR<0.05)CRANKSScore PlotTop 30 GenesScreen SimilarityTop 30 Sensitive GO termsTop 30 Resistant GO terms
3/111ScoresViewViewViewViewView

  • Last modified: 2026/01/15 21:36
  • by 127.0.0.1