CAS NO: | 1627607-87-7 |
规格: | ≥98% |
包装 | 价格(元) |
5mg | 电议 |
10mg | 电议 |
25mg | 电议 |
50mg | 电议 |
100mg | 电议 |
250mg | 电议 |
500mg | 电议 |
Molecular Weight (MW) | 535.98 |
---|---|
Formula | C23H25F4N3O3S. HCl |
CAS No. | 1627607-87-7 |
Storage | -20℃ for 3 years in powder form |
-80℃ for 2 years in solvent | |
Solubility (In vitro) | DMSO: 32 mg/mL |
Water: NA | |
Ethanol: NA | |
Other info | Chemical Name:
(R)-8-fluoro-N-(1-oxo-1-(pyrrolidin-1-yl)-3-(3-(trifluoromethyl)phenyl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
hydrochloride InChi Key: ZADKZNVAJGEFLC-ZMBIFBSDSA-N InChi Code: InChI=1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m1./s1 SMILES Code: O=S(C1=CC2=C(CNCC2)C(F)=C1)(N[C@H](CC3=CC=CC(C(F)(F)F)=C3)C(N4CCCC4)=O)=O.[H]Cl |
Synonyms | PFI-2; PFI2; PFI 2; PFI-2 hydrochloride |
In Vitro | In vitro activity: (R)-PFI-2 shows 500-fold more inhibitory activity against human SETD7 than its enantiomer, (S)-PFI-2. In a cellular environment, through direct interactions with SETD7, affects Yes-Associated protein localization and phenocopies Setd7 genetic deletion on Hippo pathway signaling. Kinase Assay: The reaction mixtures containing 2 nM SETD7, 2 uM biotinylated peptide H3 (1-25) and 2 uM SAM in 20 mM Tris, pH 8, 5 mM DTT and 0.01% Triton X-100 were incubated for 1 hour at 23°C. Compound concentration was varied from 0.3 nM to 5 uM. All reactions (in 10 ul) started by adding 3H-SAM and stopped by addition of 10 ul of 7.5 M guanidine hydrochloride. 60 ul of buffer (20 mM Tris, pH 8) was added, mixed and transferred to a 384-well FlashPlate (Cat. # SMP410A001PK; Perkin Elmer; www.perkinelmer.com). The reaction mixtures in Flash plate were incubated for 1 hour and the CPM counts were measured using Topcount plate reader ((Perkin Elmer, www.perkinelmer.com). The CPM counts in the absence of compound for each data set were defined as 100% activity. In the absence of the enzyme, the CPM counts in each data set were defined as background (0%). The IC50 values were determined using GraphPad Prism 6 with Sigmoidal 4PL equation. Cell assay [1] Compound stability was checked in the media with and without cell. Samples were analyzed using Waters Synapt G2 S Quadruple Time-of-flight (Q-Tof) hybrid mass spectrometer (MS) system coupled with second generation ACQUITY ultra-performance liquid chromatography (UPLC-II). Chromatographic separations were carried out on an ACQUITY UPLC BEH C18 (2.1 X 50 mm, 1.7 um) column. The mobile phase was 0.1% formic acid in water (solvent A) and 0.1% formic acid in acetonitrile (solvent B). Compound concentrations were measured as relative peak areas at various time points. |
---|---|
In Vivo | |
Animal model | |
Formulation & Dosage | |
References | Proc Natl Acad Sci U S A. 2014 Sep 2;111(35):12853-8. |