For research use only. Not for therapeutic Use.
SMTIN-T140 (compound 6a) is a potent TRAP1 (tumor-necrosis-factor-receptor associated protein 1) inhibitor, with an IC50 of 1.646 μM. SMTIN-T140 shows anticancer activity. SMTIN-T140 leads to mitochondrial dysfunction, increases mitochondrial ROS production and activates AMPK. SMTIN-T140 potently suppressed tumor growth without any noticeable in vivo toxicity in a mouse model xenografted with PC3 prostate cancer cells[1].
| Catalog Number | I043608 |
| CAS Number | 2851532-40-4 |
| Synonyms | 6-[2-amino-9-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-8-oxopurin-7-yl]hexyl-triphenylphosphanium |
| Molecular Formula | C36H34BrClFN5OP+ |
| Purity | ≥95% |
| InChI | InChI=1S/C36H34BrClFN5OP/c37-27-21-20-26(31(39)24-27)25-44-34-32(33(38)41-35(40)42-34)43(36(44)45)22-12-1-2-13-23-46(28-14-6-3-7-15-28,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h3-11,14-21,24H,1-2,12-13,22-23,25H2,(H2,40,41,42)/q+1 |
| InChIKey | WMHQIAATFFUMMC-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)[P+](CCCCCCN2C3=C(N=C(N=C3Cl)N)N(C2=O)CC4=C(C=C(C=C4)Br)F)(C5=CC=CC=C5)C6=CC=CC=C6 |
| Reference | [1]. Yang S, et al. Triphenylphosphonium conjugation to a TRAP1 inhibitor, 2-amino-6-chloro-7,9-dihydro-8H-purin-8-one increases antiproliferative activity. Bioorg Chem. 2022 May 20;126:105856. |
