NBUMP

NBUMP
Clinical data
ATC code	none;
Identifiers
	IUPAC name N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]adamantane-1-carboxamide;
CAS Number	134390-72-0 ;
PubChem CID	64622;
ChemSpider	58183;
UNII	G184WXO36J;
CompTox Dashboard (EPA)	DTXSID901029353 ;
Chemical and physical data
Formula	C26H39N3O2
Molar mass	425.617 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES COc1ccccc1N2CCN(CC2)CCCCNC(=O)C34CC5CC(C3)CC(C5)C4;
	InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30); Key:PRZPXKIXNNNNCD-UHFFFAOYSA-N;
	(verify)

NBUMP is a highly selective 5-HT_1A receptor partial agonist (K_i = 0.1 nM; IA = 40%) with an aryl piperazine structure.^[1] It is one of the highest affinity ligands for the 5-HT_1A receptor known.^[1] It displays 460- and 260-fold selectivity for 5-HT_1A over the α₁-adrenergic and D₂ receptors, respectively.^[1]

References

^ ^a ^b ^c Glennon RA (2006). "Strategies for the development of selective serotonergic agents". In Roth BL (ed.). The Serotonin Receptors: From Molecular Pharmacology to Human Therapeutics (The Receptors). Totowa, NJ: Humana Press. p. 113. ISBN 1-58829-568-0.

Clinical data

ATC code	none
Identifiers
IUPAC name N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]adamantane-1-carboxamide
CAS Number	134390-72-0^Y
PubChem CID	64622
ChemSpider	58183
UNII	G184WXO36J
CompTox Dashboard (EPA)	DTXSID901029353
Chemical and physical data
Formula	C₂₆H₃₉N₃O₂
Molar mass	425.617 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES COc1ccccc1N2CCN(CC2)CCCCNC(=O)C34CC5CC(C3)CC(C5)C4
InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30) Key:PRZPXKIXNNNNCD-UHFFFAOYSA-N
(verify)