diaBZI STING agonist-1 (tautomerisme)

Kjemisk navn:

(E)-1-((E)-4-((E)-5-karbamoyl-2-((1-etyl-3-metyl-1H-pyrazol-5-karbonyl)imino)-7-(3- morfolinopropoksy)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)but-2-en-1-yl)-2-((1-etyl-3-metyl-1H-pyrazol-5- karbonyl)imino)-7-metoksy-2,3-dihydro-1H-benzo[d]imidazol-5-karboksamid

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-nøkkel:

JGLMVXWAHNTPRF-CMDGGOBGSA-N

Nøkkelord:

Løselighet: 

Lagring: 

Beskrivelse:

diaBZI STING agonist-1 Tautomerism (forbindelse 3) er en selektiv stimulator av interferon gener (STING) reseptoragonist, med EC50s på 130, 186 nM for henholdsvis mennesker og mus.

Mål: STING