CAS 3077918-44-3

Fórmula: C57H69Cl2F2N9O9

InChI: InChI=1S/C57H69Cl2F2N9O9/c1-6-42-51(52(63)70-55(64)68-42)79-24-10-23-78-44-14-8-7-11-35(44)16-20-47(71)65-21-25-75-27-29-77-30-28-76-26-22-66-53(72)36-15-19-43(45(31-36)74-5)67-54(73)50-48(38-12-9-13-40(59)49(38)61)57(34-62,46(69-50)33-56(2,3)4)39-18-17-37(58)32-41(39)60/h7-9,11-15,17-19,31-32,46,48,50,69H,6,10,16,20-30,33H2,1-5H3,(H,65,71)(H,66,72)(H,67,73)(H4,63,64,68,70)/t46-,48-,50+,57-/m0/s1

Chave InChI: OGYCDWPQPLDMMD-RVUNVVNYSA-N

SMILES: CCC1=C(C(=NC(=N1)N)N)OCCCOC2=CC=CC=C2CCC(=O)NCCOCCOCCOCCNC(=O)C3=CC(=C(C=C3)NC(=O)[C@H]4[C@@H]([C@@]([C@@H](N4)CC(C)(C)C)(C#N)C5=C(C=C(C=C5)Cl)F)C6=C(C(=CC=C6)Cl)F)OC

BION106

CAS: 3077918-44-3

BION106 is a PROTAC degrader targeting dihydrofolate reductase-thymidylate synthase (DHFR-TS). It exhibits potent antimalarial activity with a Ki value of 2.68 nM against Plasmodium falciparum and a toxicity of 0.2 μM. For mammalian cells, its Ki value exceeds 100 μM and the toxicity is 44.2 μM. BION106 is suitable for antimalarial research.

Fórmula: C₅₇H₆₉Cl₂F₂N₉O₉

Peso molecular: 1133.13

Ref: TM-T215235