Submission Details
Molecule(s):
CC(=O)NCCc1c[nH]c2c1NC(=O)C1CC3(CN(C(=O)Cl)CCN3CC(=N)N)SC21
CC(=O)NCCc1c[nH]c2c1cc(Cl)c1cc(CCCC(=N)N)sc12
C=C(C)CCCc1c[nH]c2c1NC(=O)C1CC(CCCC(=N)N)SC21
Design Rationale:
Overlay and minimisation in site 1. X0072_0 19270 X0104_0 19271 X0708-0 19301 X0991-0 19323 X0736-0 19304 the intermediate overlays can also be prepared: CC(=O)NCCc4cnc3c2SC1(CN(CCN1CC(=N)N)C(Cl)=O)Cc2c(Cl)cc34, ClC(=O)NNC(=O)c2cc3c(Cl)cc1c(cnc1c3s2)CCNC(C)=O, CC(=O)NCCc2cnc3C1SC4(CC1C(=O)Nc23)CN(CCN4CC(=N)N)C(=O)CN, N1C=C(CCNC(C)=O)C2NC(=O)C3CC4(N(CC(N)=N)CCN(C(Cl)=O)C4)SC3C1=2
Other Notes:
suggests synthesis (of amide analogues) via an initial amide coupling of a reagent of the form N1C=CC(N)=C1Br and the thiophene S1C=CC(C(=O)O)=C1B(O)O component and then close the ring via a Suzuki coupling(also many other ways, but a good chance of finding these with the desired side chains or functional groups that will be converted to them).