diABZI STING agonist-1 (Tautomerisme)

Chemiese naam:

(E)-1-((E)-4-((E)-5-karbamoiel-2-((1-etiel-3-metiel-1H-pirasool-5-karboniel)imino)-7-(3- morfolinopropoksie)-2,3-dihidro-1H-benso[d]imied asol-1-yl)but-2-en-1-yl)-2-((1-etiel-3-metiel-1H-pirasool-5-karboniel)imino)-7-metoksi-2,3-dihidro- 1H-benso[d]imidasool-5-karboksamied

SMILES Kode:

O=C(N)C1=CC(N/C(N2C/C=C/CN3/C(NC4=C3C(OCCCN5CCOCC5)=CC(C(N)=O)=C4)=N/C(C6= CC(C)=NN6CC)=O)=NC(C7=CC(C)=NN7CC)=O)=C2C(OC)=C1

InChi-kode:

InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43) )56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26 (4) 50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8- 9, 19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9 -8+

InChi-sleutel:

JGLMVXWAHNTPRF-CMDGGOBGSA-N

Sleutelwoord:

Oplosbaarheid: 

Berging: 

Beskrywing:

diABZI STING agonis-1 Toutomerie (verbinding 3) is 'n selektiewe stimuleerder van interferon gene (STING) reseptor agonis, met EC50s van 130, 186 nM onderskeidelik vir mens en muis.

Teiken: STING