AS-8112

AS-8112 is a synthetic compound that acts as a selective antagonist at the dopamine receptor subtypes D2 and D3, and the serotonin receptor 5-HT3.[1] It has potent antiemetic effects in animal studies and has been investigated for potential medical use.[2][3]

AS-8112
Names
Preferred IUPAC name
5-Bromo-N-[(6R)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-4-(methylamino)benzamide
Identifiers
3D model (JSmol)
ChemSpider
DrugBank
PubChem CID
InChI
  • InChI=1S/C17H27BrN4O2/c1-5-22-7-6-21(3)10-12(11-22)20-17(23)13-8-14(18)15(19-2)9-16(13)24-4/h8-9,12,19H,5-7,10-11H2,1-4H3,(H,20,23)/t12-/m1/s1 Y
    Key: DALSFUWTAOKVTF-GFCCVEGCSA-N Y
SMILES
  • CCN2CCN(C)CC(C2)NC(=O)c1cc(Br)c(NC)cc1OC
  • CCN1CCN(CC(C1)NC(=O)c2cc(c(cc2OC)NC)Br)C
Properties
Chemical formula
C17H27BrN4O2
Molar mass 399.325 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references

References

  1. Yoshikawa T, Yoshida N, Oka M (May 2001). "The broad-spectrum anti-emetic activity of AS-8112, a novel dopamine D2, D3 and 5-HT3 receptors antagonist". British Journal of Pharmacology. 133 (2): 253–60. doi:10.1038/sj.bjp.0704078. PMC 1572785. PMID 11350861.
  2. Yoshikawa T, Yoshida N, Oka M (November 2001). "Central antiemetic effects of AS-8112, a dopamine D2, D3, and 5-HT(3) receptor antagonist, in ferrets". European Journal of Pharmacology. 431 (3): 361–4. doi:10.1016/S0014-2999(01)01459-5. PMID 11730730.
  3. Hirokawa Y, Fujiwara I, Suzuki K, Harada H, Yoshikawa T, Yoshida N, Kato S (February 2003). "Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity". Journal of Medicinal Chemistry. 46 (5): 702–15. doi:10.1021/jm020270n. PMID 12593651.


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