AEE

6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE


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Chemical Component Summary

Name6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
Identifiers6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[3,2-e]pyrimidin-4-amine
FormulaC27 H32 N6
Molecular Weight440.583
TypeNON-POLYMER
Isomeric SMILESCCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5
InChIInChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
InChIKeyOONFNUWBHFSNBT-HXUWFJFHSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count1
Bond Count69
Aromatic Bond Count23

Drug Info: DrugBank

DrugBank IDDB12558 
NameAEE-788
Groups investigational
DescriptionAEE788 has been used in trials studying the treatment of Cancer, Glioblastoma Multiforme, and Brain and Central Nervous System Tumors.
SynonymsAEE-788
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors
CAS number497839-62-0

Related Resource References

Resource NameReference
Pharos CHEMBL587723
PubChem 10297043
ChEMBL CHEMBL587723