EMPA (drug)

EMPA
Clinical data
ATC code	none;
Identifiers
	IUPAC name N-Ethyl-N2-(6-methoxy-3-pyridinyl)-N2--N-(3-pyridinylmethyl)glycinamide;
CAS Number	680590-49-2 ;
PubChem CID	9981404;
ChemSpider	8156996;
UNII	VT87V86D7W;
ECHA InfoCard	100.233.393
Chemical and physical data
Formula	C23H26N4O4S
Molar mass	454.55 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCN(CC1=CN=CC=C1)C(=O)CN(C2=CN=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3C;
	InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3; Key:KJPHTXTWFHVJIG-UHFFFAOYSA-N;

EMPA is a selective antagonist of the OX₂ receptor, with 900-fold selectivity in binding for OX₂ over OX₁.^[1]^[2]

References

^ Malherbe P, Borroni E, Pinard E, Wettstein JG, Knoflach F (September 2009). "Biochemical and electrophysiological characterization of almorexant, a dual orexin 1 receptor (OX1)/orexin 2 receptor (OX2) antagonist: comparison with selective OX1 and OX2 antagonists". Molecular Pharmacology. 76 (3): 618–31. doi:10.1124/mol.109.055152. PMID 19542319. S2CID 5702143.
^ Malherbe P, Borroni E, Gobbi L, Knust H, Nettekoven M, Pinard E, et al. (April 2009). "Biochemical and behavioural characterization of EMPA, a novel high-affinity, selective antagonist for the OX(2) receptor". British Journal of Pharmacology. 156 (8): 1326–41. doi:10.1111/j.1476-5381.2009.00127.x. PMC 2697736. PMID 19751316.

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[1] Malherbe P, Borroni E, Pinard E, Wettstein JG, Knoflach F (September 2009). "Biochemical and electrophysiological characterization of almorexant, a dual orexin 1 receptor (OX1)/orexin 2 receptor (OX2) antagonist: comparison with selective OX1 and OX2 antagonists". Molecular Pharmacology. 76 (3): 618–31. doi:10.1124/mol.109.055152. PMID 19542319. S2CID 5702143.

[2] Malherbe P, Borroni E, Gobbi L, Knust H, Nettekoven M, Pinard E, et al. (April 2009). "Biochemical and behavioural characterization of EMPA, a novel high-affinity, selective antagonist for the OX(2) receptor". British Journal of Pharmacology. 156 (8): 1326–41. doi:10.1111/j.1476-5381.2009.00127.x. PMC 2697736. PMID 19751316.

[1]

[2]

v t e Orexin receptor modulators
OX₁	Agonists: Orexin (A, B) Antagonists: ACT-335827 ACT-462206 ACT-539313 Almorexant AZD-4041 C4X-3256 (INDV-2000) CR-5542 Daridorexant Filorexant GSK-649868 (SB-649868) JNJ-61393215 Lemborexant RTIOX-276 SB-334867 SB-408124 Suvorexant TCS-1102 Vornorexant (ORN-0829, TS-142) YZJ-1139
OX₂	Agonists: Danavorexton (TAK-925) Firazorexton Orexin (A, B) SB-668875 Suntinorexton TAK-861 TAK-994 Antagonists: ACT-335827 ACT-462206 Almorexant Daridorexant EMPA Filorexant GSK-649868 (SB-649868) JNJ-10397049 Lemborexant MK-1064 MK-3697 MK-8133 Seltorexant Suvorexant TCS-1102 TCS-OX2-29 Vornorexant (ORN-0829, TS-142) YZJ-1139

Clinical data

ATC code	none
Identifiers
IUPAC name N-Ethyl-N²-(6-methoxy-3-pyridinyl)-N²--N-(3-pyridinylmethyl)glycinamide
CAS Number	680590-49-2^Y
PubChem CID	9981404
ChemSpider	8156996
UNII	VT87V86D7W
ECHA InfoCard	100.233.393
Chemical and physical data
Formula	C₂₃H₂₆N₄O₄S
Molar mass	454.55 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCN(CC1=CN=CC=C1)C(=O)CN(C2=CN=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3C
InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 Key:KJPHTXTWFHVJIG-UHFFFAOYSA-N

See also

References