Chemistry:BAY 2413555

BAY 2413555
Identifiers
	IUPAC name 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(2S)-3,3,4,4,4-pentafluorobutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide;
CAS Number	2206665-50-9;
PubChem CID	172431614;
Chemical and physical data
Formula	C23H17F9N4O4
Molar mass	584.399 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@@H](C(C(F)(F)F)(F)F)NC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3C[C@H]([C@@H](C3)O)O)C4=C(C=C(C=C4F)F)F;
	InChI InChI=1S/C23H17F9N4O4/c1-8(22(28,29)23(30,31)32)33-21(40)11-5-36(17-12(25)2-9(24)3-13(17)26)19-10(18(11)39)4-14(27)20(34-19)35-6-15(37)16(38)7-35/h2-5,8,15-16,37-38H,6-7H2,1H3,(H,33,40)/t8-,15+,16+/m0/s1; Key:VTFWALACVWFKNO-OCJYXSBASA-N;

BAY 2413555 is an experimental drug that acts as a potent and selective positive allosteric modulator of the Muscarinic acetylcholine receptor M2. It has been investigated as an agent to stabilise heart rhythm.^[1]

References

↑ "Discovery of BAY 2413555, First Selective Positive Allosteric Modulator of the M2 Receptor to Restore Cardiac Autonomic Balance". Journal of Medicinal Chemistry 67 (21): 19165–19187. November 2024. doi:10.1021/acs.jmedchem.4c01590. PMID 39463278.

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Original source: https://en.wikipedia.org/wiki/BAY 2413555. Read more

[Vakalopoulos_2024-1] "Discovery of BAY 2413555, First Selective Positive Allosteric Modulator of the M2 Receptor to Restore Cardiac Autonomic Balance". Journal of Medicinal Chemistry 67 (21): 19165–19187. November 2024. doi:10.1021/acs.jmedchem.4c01590. PMID 39463278.

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Identifiers

IUPAC name 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(2S)-3,3,4,4,4-pentafluorobutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CAS Number	2206665-50-9
PubChem CID	172431614
Chemical and physical data
Formula	C₂₃H₁₇F₉N₄O₄
Molar mass	584.399 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[C@@H](C(C(F)(F)F)(F)F)NC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3C[C@H]([C@@H](C3)O)O)C4=C(C=C(C=C4F)F)F
InChI InChI=1S/C23H17F9N4O4/c1-8(22(28,29)23(30,31)32)33-21(40)11-5-36(17-12(25)2-9(24)3-13(17)26)19-10(18(11)39)4-14(27)20(34-19)35-6-15(37)16(38)7-35/h2-5,8,15-16,37-38H,6-7H2,1H3,(H,33,40)/t8-,15+,16+/m0/s1 Key:VTFWALACVWFKNO-OCJYXSBASA-N

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