PNU-181731

PNU-181731 is a drug which acts as an agonist at serotonin 5-HT2 receptors,[1][2] with strongest binding affinity for the 5-HT2C subtype at 4.8nM, and weaker 5-HT2A affinity of 18nM. It has anxiolytic effects in animal studies with around one tenth the potency of alprazolam and no significant ataxia or other side effects noted.[3]

PNU-181731
Identifiers
IUPAC name
  • 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
CAS Number
PubChem CID
ChemSpider
UNII
Chemical and physical data
FormulaC12H14N2
Molar mass186.258 g·mol−1
3D model (JSmol)
SMILES
  • C12=CC=CC=C1N3C(CCNCC3)=C2
InChI
  • InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2
  • Key:XORPZYQOYUSNCQ-UHFFFAOYSA-N

See also

References
  1. US 6734301, Ennis ME, et al., "2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds.", published May 11, 2004, assigned to Pharmacia and Upjohn Co Inc
  2. US 8158617, Shirai J, et al., "Fused heterocyclic compound and use thereof.", published April 17, 2012, assigned to Takeda Pharmaceutical Co Ltd
  3. Ennis MD, Hoffman RL, Ghazal NB, Olson RM, Knauer CS, Chio CL, et al. (July 2003). "2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists". Bioorganic & Medicinal Chemistry Letters. 13 (14): 2369–72. doi:10.1016/S0960-894X(03)00403-7. PMID 12824036.
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