For research use only. Not for therapeutic Use.
Atrovastatin-PEG3-FITC (compound S31) is a KRAS-PDEδ interaction inhibitor. Atrovastatin-PEG3-FITC acts as a ligand in fluorescence anisotropy assay[1][2].
| Catalog Number | I044523 |
| CAS Number | 1440755-31-6 |
| Synonyms | 1-[(3R,5R)-7-[3-[2-[2-[3-[(3′,6′-dihydroxy-3-oxospiro[2-benzofuran-1,9′-xanthene]-5-yl)carbamothioylamino]propoxy]ethoxy]ethoxy]propylamino]-3,5-dihydroxy-7-oxoheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide |
| Molecular Formula | C64H68FN5O12S |
| Purity | ≥95% |
| InChI | InChI=1S/C64H68FN5O12S/c1-40(2)59-58(61(76)68-44-13-7-4-8-14-44)57(41-11-5-3-6-12-41)60(42-15-17-43(65)18-16-42)70(59)28-25-48(73)36-49(74)39-56(75)66-26-9-29-78-31-33-80-34-32-79-30-10-27-67-63(83)69-45-19-22-51-50(35-45)62(77)82-64(51)52-23-20-46(71)37-54(52)81-55-38-47(72)21-24-53(55)64/h3-8,11-24,35,37-38,40,48-49,71-74H,9-10,25-34,36,39H2,1-2H3,(H,66,75)(H,68,76)(H2,67,69,83)/t48-,49-/m1/s1 |
| InChIKey | WHWNHUTWCMCCLV-YYACYCFASA-N |
| SMILES | CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)NCCCOCCOCCOCCCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)O)O)C7=CC=C(C=C7)F)C8=CC=CC=C8)C(=O)NC9=CC=CC=C9 |
| Reference | [1]. Gunther Zimmermann, et al. Small molecule inhibition of the KRAS-PDEδ interaction impairs oncogenic KRAS signaling. Nature. 2013 May 30;497(7451):638-42. [2]. Yan Jiang, et al. Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors. J Med Chem. 2017 Nov 22;60(22):9400-9406. |
