Chemistry:Navafenterol

Navafenterol
Identifiers
	IUPAC name [4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate;
CAS Number	1435519-06-4;
PubChem CID	71558565;
UNII	U29GY32XJ4;
KEGG	D11900;
ChEMBL	ChEMBL4297483;
Chemical and physical data
Formula	C38H42N6O6S2
Molar mass	742.91 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN(CCCN1C2=C(C=C(C=C2)CNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)N=N1)C5CCC(CC5)OC(=O)C(C6=CC=CS6)(C7=CC=CS7)O;
	InChI InChI=InChI=1S/C38H42N6O6S2/c1-43(25-8-10-26(11-9-25)50-37(48)38(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-44-30-14-7-24(21-29(30)41-42-44)22-39-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)40-36/h2-3,5-7,12-16,19-21,25-26,32,39,45-46,49H,4,8-11,17-18,22-23H2,1H3,(H,40,47)/t25?,26?,32-/m0/s1; Key:ZNKWRAKPQQZLNX-FFJARJNZSA-N;

Short description: Chemical compound

Navafenterol is an investigational drug that had been evaluated for chronic obstructive pulmonary disease.^[1] It is a Beta2 agonist and a muscarinic antagonist. Further development has been discontinued for strategic reasons.^[2]

References

↑ "Navafenterol for chronic obstructive pulmonary disease therapy". Expert Opinion on Investigational Drugs 32 (4): 283–290. April 2023. doi:10.1080/13543784.2023.2199920. PMID 37017626.
↑ "Navafenterol - AstraZeneca". AdisInsight. Springer Nature Switzerland AG. https://adisinsight.springer.com/drugs/800043459.

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Identifiers

IUPAC name [4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate
CAS Number	1435519-06-4
PubChem CID	71558565
UNII	U29GY32XJ4
KEGG	D11900
ChEMBL	ChEMBL4297483
Chemical and physical data
Formula	C₃₈H₄₂N₆O₆S₂
Molar mass	742.91 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN(CCCN1C2=C(C=C(C=C2)CNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)N=N1)C5CCC(CC5)OC(=O)C(C6=CC=CS6)(C7=CC=CS7)O
InChI InChI=InChI=1S/C38H42N6O6S2/c1-43(25-8-10-26(11-9-25)50-37(48)38(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-44-30-14-7-24(21-29(30)41-42-44)22-39-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)40-36/h2-3,5-7,12-16,19-21,25-26,32,39,45-46,49H,4,8-11,17-18,22-23H2,1H3,(H,40,47)/t25?,26?,32-/m0/s1 Key:ZNKWRAKPQQZLNX-FFJARJNZSA-N