AS2674723

AS2674723
Identifiers
	IUPAC name N-(diaminomethylidene)-5-fluoro-8-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;
CAS Number	1392819-23-6;
PubChem CID	60152964;
ChemSpider	58954748;
ChEMBL	ChEMBL3654198;
PDB ligand	NN6 (PDBe, RCSB PDB);
Chemical and physical data
Formula	C17H14F4N4O
Molar mass	366.320 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CN(CC2=C(C=CC(=C21)F)C3=C(C=C(C=C3F)F)F)C(=O)N=C(N)N;
	InChI InChI=1S/C17H14F4N4O/c18-8-5-13(20)15(14(21)6-8)10-1-2-12(19)9-3-4-25(7-11(9)10)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26); Key:YBJHLGWWZWMRCD-UHFFFAOYSA-N;

AS2674723 is a drug which acts as a selective antagonist for the serotonin receptor 5-HT_5A. It is used to study the structure and function of this receptor subtype such as its role in learning and memory, and has been crystallised with the 5-HT5A receptor so that its binding site can be modelled with computational chemistry techniques.^[1]^[2]

References

↑ Yamazaki M, Okabe M, Yamamoto N, Yarimizu J, Harada K (March 2015). "Novel 5-HT5A receptor antagonists ameliorate scopolamine-induced working memory deficit in mice and reference memory impairment in aged rats". Journal of Pharmacological Sciences. 127 (3): 362–369. doi:10.1016/j.jphs.2015.02.006. PMID 25837935.
↑ Zhang S, Chen H, Zhang C, Yang Y, Popov P, Liu J, et al. (July 2022). "Inactive and active state structures template selective tools for the human 5-HT_5A receptor". Nature Structural & Molecular Biology. 29 (7): 677–687. doi:10.1038/s41594-022-00796-6. PMC 9299520. PMID 35835867.

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[1] Yamazaki M, Okabe M, Yamamoto N, Yarimizu J, Harada K (March 2015). "Novel 5-HT5A receptor antagonists ameliorate scopolamine-induced working memory deficit in mice and reference memory impairment in aged rats". Journal of Pharmacological Sciences. 127 (3): 362–369. doi:10.1016/j.jphs.2015.02.006. PMID 25837935.

[2] Zhang S, Chen H, Zhang C, Yang Y, Popov P, Liu J, et al. (July 2022). "Inactive and active state structures template selective tools for the human 5-HT_5A receptor". Nature Structural & Molecular Biology. 29 (7): 677–687. doi:10.1038/s41594-022-00796-6. PMC 9299520. PMID 35835867.

[1]

[2]

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AS2674723

See also

References