WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H407504
CAS#: Unknown
Description: ST-168 is a potent MEK/PI3K bifunctional inhibitor. ST-168 displays improved MEK1 and PI3K isoform inhibition. ST-168 demonstrated a 2.2-fold improvement in MEK1 inhibition and a 2.8-, 2.7-, 23-, and 2.5-fold improved inhibition toward the PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ isoforms, respectively, as compared to a previous lead ST-162 in in vitro enzymatic inhibition assays. ST-168 demonstrated superior tumoricidal efficacy over ST-162 in an A375 melanoma spheroid tumor model.
Hodoodo Cat#: H407504
Name: ST-168
CAS#: Unknown
Chemical Formula: C41H44F5IN10O7
Exact Mass: 1,010.24
Molecular Weight: 1,010.763
Elemental Analysis: C, 48.72; H, 4.39; F, 9.40; I, 12.56; N, 13.86; O, 11.08
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Synonym: ST-168; ST 168; ST168.
IUPAC/Chemical Name: N-(2-(2-(2-(3-(4-(4-(2-(Difluoromethyl)-1H-benzo[d]imidazol-1-yl)-6-morpholino-1,3,5-triazin-2-yl)piperazin-1-yl)-3-oxopropoxy)ethoxy)ethoxy)ethoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide
InChi Key: XIUWBGIKSXLESW-UHFFFAOYSA-N
InChi Code: InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59)
SMILES Code: O=C(NOCCOCCOCCOCCC(N1CCN(C2=NC(N3C(C(F)F)=NC4=CC=CC=C34)=NC(N5CCOCC5)=N2)CC1)=O)C6=CC=C(F)C(F)=C6NC7=CC=C(I)C=C7F
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 1,010.76 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
Structure-Guided Design and Initial Studies of a Bifunctional MEK/PI3K Inhibitor (ST-168)
Marcian E. Van Dort, Stefanie Galbán, Charles A. Nino, Hao Hong, April A. Apfelbaum, Gary D. Luker, Greg M. Thurber, Lydia Atangcho, Cagri G. Besirli, and Brian D. Ross
Publication Date (Web): July 24, 2017 (Letter)
DOI: 10.1021/acsmedchemlett.7b00111
