AS-8112

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)	Interactive image Interactive image
ChemSpider	9168209  Y
DrugBank	DB09207
PubChem CID	10993014
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

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]}

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.