diABZI SCULPATIO agonist-1 trihydrochloride

Nomen chemicum:

(E) -1-(4-(5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-carboxamido)-7-(3-morpholinopropoxy)-1H-benzo[d]imidazol -1-yl) sed-2-en-1-yl)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carboxamido) -7-methoxy-1H-benzo[d]imidazole-5- carboxamide trihydrochloride

SMILES Code:

O=C(N)C1=CC(N=C(NC(C2=CC(C))=NN2CC)=O)N3C/C=C/CN4C(NC(C5=CC(C))NN5CC)=O) = NC6=C4C(OCCCN7CCOCC7)=CC(C(N)=O)=C6)=C3C(OC)=C1.Cl.Cl.Cl.

InChi Code:

CKESNWHACHILIV-BILRHTGOSA-N

InChi Key:

InChI=1S/C42H51N13O7.3ClH/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,7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,46,48,59) );3*1H/b9-8+;;;

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Descriptio:

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

Scopum: STING