Batefenterol

Jeneng Kimia:

"(R)-1-(3-((2-chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)etil)amino) metil)-5-metoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate Batefenterol Succinate"

Kode SMILES:

O=C(OC1CCN(CCC(NC2=CC(OC)=C(CNC[C@H](O)C3=CC=C(O)C4=C3C=CC(N4)=O)C=C2Cl)= O)CC1)NC5=CC=CC=C5C6=CC=CC=C6

Kode Inchi:

InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30( 29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10- 6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2, 1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1

Kunci InChi:

URWYQGVSPQJGGB-DHUJRADRSA-N

tembung kunci:

Batefenterol, TD-5959, GSK961081, 743461-65-6, GSK-961081, GSK 961081, TD5959, TD 5959, 743461-65-6

Kelarutan:Larut ing DMSO

Panyimpenan:0 - 4°C kanggo jangka cendhak (dina nganti minggu), utawa -20°C kanggo jangka panjang (sasi)

katrangan:

Batefenterol minangka antagonis muscarinic lan agonis reseptor β2-adrenergik (β2-AR) (Kis = 1.4, 1.3, lan 3.7 nM, kanggo hM2, hM3, lan hβ2-AR, masing-masing ing uji pengikat radioligand). Batefenterol nuduhake aktivitas agonis hβ2-AR sing kuat (EC50 = 0.29 nM) kanthi selektivitas fungsional 440- lan 320-fold liwat hβ1- lan hβ3-ARs, masing-masing. jaringan lan nyegah respon bronkokonstriktor ing uji bronkoproteksi marmut (ED50 = 6.4 µg/mL). Formulasi sing ngemot batefenterol ana ing uji klinis kanggo nambani penyakit paru obstruktif kronis (COPD).

Target: β2-adrenoceptor