diABZI SCULPATIO agonist-1 (Tautomerism)

Nomen chemicum:

(E) -1- ((E) -4-((E)-5-carbamoyl-2-((1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino) -7-(3- morpholinopropoxy)-2,3-dihydro-1H-benzo[d]imid azol-1-yl) sed-2-en-1-yl)-2-((1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino) -7-methoxy-2,3-dihydro- 1H-benzo[d]imidazole-5-carboxamide

SMILES Code:

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 Code:

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) /b9-8+

InChi Key:

JGLMVXWAHNTPRF-CMDGGOBGSA-N

Keyword:

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Descriptio:

diABZI STIO agonist-1 Tautomerismus (compositus 3) est excitator selectivus genesis interferonis (STING) receptor agonist cum EC50s 130, 186 nM pro humano et mure respective.

Scopum: STING