MedKoo Cat#: 407504 | Name: ST-168

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

ST-168
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 407504

Name: ST-168

CAS#: Unknown

Chemical Formula: C41H44F5IN10O7

Exact Mass: 1010.2359

Molecular Weight: 1010.76

Elemental Analysis: C, 48.72; H, 4.39; F, 9.40; I, 12.56; N, 13.86; O, 11.08

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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