Introduction：Basic information about CAS 1627676-59-8|PFI-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | PFI-2 |
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| CAS Number | 1627676-59-8 | Molecular Weight | 499.522 |
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| Density | 1.371±0.06 g/cm3 | Boiling Point | 642.7±65.0 °C at 760 mmHg |
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| Molecular Formula | C23H25F4N3O3S | Melting Point | / |
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| MSDS | / | Flash Point | 342.5±34.3 °C |
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Names
| Name | 6-Isoquinolinesulfonamide, 8-fluoro-1,2,3,4-tetrahydro-N-[(1R)-2-oxo-2-(1-pyrrolidinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]ethyl]- |
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| Synonym | More Synonyms |
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PFI-2 BiologicalActivity
| Description | PFI-2 is a a first-in-class, potent, highly selective, and cell-active inhibitor of the methyltransferase activity of SETD7 with IC50 of 2 nM, 500 fold active than (S)-PFI-2.IC50 value: 2 nM [1]Target: SETD7(R)-PFI-2 is highly selective (>1,000-fold) for SETD7, over a panel of 18 other human protein methyltransferases and DNMT1, and was shown to be inactive against 134 additional ion channel, GPCR, and enzyme targets (<35% inhibition at 10 μM). (R)-PFI-2 binds to SETD7 only in the presence of SAM. PFI-766, a biotinylated variant of (R)-PFI-2 that retains the ability to bind and inhibit SETD7 (IC50 110 ± 26 nM in our in vitro enzymatic assay). PFI-766 engagement of endogenous SETD7 was also confirmed by mass spectrometry that supported the high specificity of the compound for endogenous SETD7. |
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| Related Catalog | Signaling Pathways >>Epigenetics >>Histone MethyltransferaseResearch Areas >>Cancer |
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| References | [1]. Barsyte-Lovejoy D, et al. (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc Natl Acad Sci U S A. 2014 Sep 2;111(35):12853-8. |
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Chemical & Physical Properties
| Density | 1.371±0.06 g/cm3 |
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| Boiling Point | 642.7±65.0 °C at 760 mmHg |
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| Molecular Formula | C23H25F4N3O3S |
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| Molecular Weight | 499.522 |
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| Flash Point | 342.5±34.3 °C |
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| Exact Mass | 499.155273 |
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| PSA | 86.89000 |
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| LogP | 3.55 |
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| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
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| Index of Refraction | 1.566 |
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| InChIKey | JCKGSPAAPQRPBW-OAQYLSRUSA-N |
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| SMILES | O=C(C(Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1 |
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| Storage condition | 2-8℃ |
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| Water Solubility | Practically insoluble (0.06 g/L) (25 ºC) |
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Synonyms
| 6-Isoquinolinesulfonamide, 8-fluoro-1,2,3,4-tetrahydro-N-[(1R)-2-oxo-2-(1-pyrrolidinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]ethyl]- |
| 8-Fluoro-N-{(2R)-1-oxo-1-(1-pyrrolidinyl)-3-[3-(trifluoromethyl)phenyl]-2-propanyl}-1,2,3,4-tetrahydro-6-isoquinolinesulfonamide |
| PFI-2 |
| 8-Fluoro-1,2,3,4-tetrahydro-N-[(1R)-2-oxo-2-(1-pyrrolidinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]ethyl]-6-isoquinolinesulfonamide |
