diABZI STING agonist-1 (Tautomerisme)

Nama Kimia:

(E)-1-((E)-4-((E)-5-carbamoyl-2-((1-etil-3-metil-1H-pirazol-5-karbonil)imino)-7-(3- morpholinopropoxy)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)tetapi-2-en-1-yl)-2-((1-etil-3-metil-1H-pirazol-5- karbonil)imino)-7-metoxy-2,3-dihydro-1H-benzo[d]imidazole-5-carboxamide

Kod SMILES:

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

Kod InChi:

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 +

Kunci InChi:

JGLMVXWAHNTPRF-CMDGGOBGSA-N

Kata kunci:

Keterlarutan: 

Storan: 

Penerangan:

diABZI STING agonist-1 Tautomerism (compound 3) ialah stimulator selektif bagi agonis reseptor gen interferon (STING), dengan EC50s 130, 186 nM untuk manusia dan tetikus, masing-masing.

Sasaran: STING