![8-[(6-Iodobenzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine](https://resource.bocsci.com/structure/873436-89-6.gif)
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| IUPAC Name: | 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine |
| Description: | 8-[(6-Iodobenzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine (CAS# 873436-89-6) is used in the development of mitochondrial TRAP1 inhibitor that suppresses cell death and reprograms energy metabolism in cancer cells. |
| Molecular Weight: | 413.19 |
| Molecular Formula: | C12H8IN5O2S |
| Canonical SMILES: | C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3)C(=NC=N4)N |
| InChI: | InChI=1S/C12H8IN5O2S/c13-5-1-6-7(20-4-19-6)2-8(5)21-12-17-9-10(14)15-3-16-11(9)18-12/h1-3H,4H2,(H3,14,15,16,17,18) |
| InChI Key: | BFOWGJNWQLLISB-UHFFFAOYSA-N |
| LogP: | 3.00080 |
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