| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1403764-72-6 |
| Catalog No. | 2A-2187813 |
| Chinese Name | 2-甲氧基-N-(3-甲基-2-氧代-1,2,3,4-四氢喹唑啉-6-基)苯磺酰胺 |
| Synonyms | 2-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinazolinyl)benzenesulfonamide; QCR-192; PFI-1; CS-1362; PF-6405761 |
| Molecular Formula | C16H17N3O4S |
| Molecular Weight | 347.39 |
| Density | 1.4±0.1 g/cm3 |
| Appearance | white to beige |
| Water Solubility | DMSO: ≥10mg/mL |
| Storage Condition | 2-8°C |
| Application | PFI-1 is a potent BET inhibitor that effectively inhibits BRD4 with an IC50 value of 0.22 μM. |
| PubChem ID | 329825355 |
| MDL Number | MFCD22580416 |
| InChI | InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20) |
| InChI Key | TXZPMHLMPKIUGK-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352202 |
| Hazard Symbols | transportation |
| Bioactivity | PFI-1 is a selective BET (bromodomain-containing protein) inhibitor for BRD4 with IC50 of 0.22 μM in a cell-free assay. Related Catalog Signaling Pathways >> Epigenetics >> Epigenetic Reader Domain Research Areas >> Cancer Target IC50: 0.22 μM (BRD4) In Vitro PFI-1 has antiproliferative effects on leukemic cell lines and efficiently abrogates their clonogenic growth. Exposure of sensitive cell lines with PFI-1 results in G1 cell-cycle arrest, downregulation of MYC expression, as well as induction of apoptosis and induces differentiation of primary leukemic blasts. Cells exposed to PFI-1 show significant downregulation of Aurora B kinase, thus attenuating phosphorylation of the Aurora substrate H3S10, providing an alternative strategy for the specific inhibition of this well-established oncology target[1]. PFI-1 binds to with cyclic AMP response binding protein with Kd of 49 μM. PFI-1 has an EC50 of 1.89 μM for the inhibition of IL6 production from human blood mononuclear cells stimulated by LPS[2]. PFI-1 induces dose-dependent reduction of cell viability in T4302 CD133+ cells[3]. PFI-1 inhibits the proliferating of three NET cell lines (Bon-1 derived from a pancreatic NET, and H727 and H720 derived from lung NETs)[4]. In Vivo PFI-1 administrated (1 mg/kg, i.v.) in the rat results in the volume of distribution of 1 L/kg, the plasma clearance of 18 mL/min/kg and half-life of 1 hour. PFI-1 oral dosed (2 mg/kg) in the rat results in the oral bioavailability as low as 32%. PFI-1 administrated (2 mg/kg, s.c.) in the mouse results in a Cmax of 58 ng/mL with a Tmax of 1 h and a half-life of approximately 2 hours[2]. References [1]. Picaud S, et al. PFI-1, a Highly Selective Protein Interaction Inhibitor, Targeting BET Bromodomains. Cancer Res. 2013 May 21. [Epub ahead of print] [2]. Fish PV, et al. Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J Med Chem. 2012 Nov 26;55(22):9831-7. [3]. Cheng Z, et al. Inhibition of BET bromodomain targets genetically diverse glioblastoma. Clin Cancer Res. 2013 Apr 1;19(7):1748-59. [4]. Kate E Lines, et al. Epigenetic modifiers reduce proliferation of human neuroendocrine tumour cell lines. Endocrine Abstracts (2013) 31 P149 Chemical & Physical Properties Density 1.4±0.1 g/cm3 Molecular Formula C16H17N3O4S Molecular Weight 347.389 Exact Mass 347.093964 PSA 96.12000 LogP 0.53 Appearance of Characters white to beige Index of Refraction 1.628 Storage condition 2-8°C Water Solubility DMSO: ≥10mg/mL |
| Use of | PFI-1 is a selective BET (bromodomain-containing protein) inhibitor for BRD4 with IC50 of 0.22 μM in a cell-free assay. Properties Name 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide Synonym More Synonyms PFI-1 Biological Activity Description PFI-1 is a selective BET (bromodomain-containing protein) inhibitor for BRD4 with IC50 of 0.22 μM in a cell-free assay. Related Catalog Signaling Pathways >> Epigenetics >> Epigenetic Reader Domain Research Areas >> Cancer IC50: 0.22 μM (BRD4) References [1]. Picaud S, et al. PFI-1, a Highly Selective Protein Interaction Inhibitor, Targeting BET Bromodomains. Cancer Res. 2013 May 21. [Epub ahead of print] [2]. Fish PV, et al. Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J Med Chem. 2012 Nov 26;55(22):9831-7. [3]. Cheng Z, et al. Inhibition of BET bromodomain targets genetically diverse glioblastoma. Clin Cancer Res. 2013 Apr 1;19(7):1748-59. [4]. Kate E Lines, et al. Epigenetic modifiers reduce proliferation of human neuroendocrine tumour cell lines. Endocrine Abstracts (2013) 31 P149 Chemical & Physical Properties Molecular Formula C16H17N3O4S Exact Mass 347.093964 PSA 96.12000 Appearance of Characters white to beige Index of Refraction 1.628 |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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