1207453-90-4

Basic information

• Product Name: 6-Fluoro-4-nitro-3H-isobenzofuran-1-one
• Synonyms: 6-Fluoro-4-nitro-3H-isobenzofuran-1-one;6-fluoro-4-nitroisobenzofuran-1(3H)-one
• CAS NO: 1207453-90-4
• Molecular Formula: C₈H₄FNO₄
• Molecular Weight: 197.1200632
• Mol File: 1207453-90-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 414.93 °C at 760 mmHg
• Flash Point: 204.742 °C
• Appearance: /
• Density: 1.614 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 6-Fluoro-4-nitro-3H-isobenzofuran-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Fluoro-4-nitro-3H-isobenzofuran-1-one(1207453-90-4)
• EPA Substance Registry System: 6-Fluoro-4-nitro-3H-isobenzofuran-1-one(1207453-90-4)

Safety Data

• Hazardous Substances Data: 1207453-90-4(Hazardous Substances Data)

Usage

Description

6-fluoro-4-nitro-3H-isobenzofuran-1-one is a kind of benzofuran derivative. As a kind of isobenzofuranone, it can be used to enhance aroma in perfumery. It also has certain pharmacological effects such as antioxidant activity and antiplatelet activity.6-Fluoro-4-nitro-1(3H)-isobenzofuranone appeared as a reactant in the synthesis of a Poly(ADP-ribose) Polymerase-1/2 Inhibitor, which is a proposed anticancer agent.

Uses

6-Fluoro-4-nitro-1(3H)-isobenzofuranone appeared as a reactant in the synthesis of a Poly(ADP-ribose) Polymerase-1/2 Inhibitor, which is a proposed anticancer agent.

References

Boden, Richard M, and W. L. Schreiber. "Use of 1 (3H)- isobenzofuranone in perfumery." US, US 5665697 A. 1997. Ma, F., et al. "Antiplatelet activity of 3-butyl-6-bromo-1 (3H)- isobenzofuranone on rat platelet aggregation. " Journal of Thrombosis & Thrombolysis 33.1(2012): 64-73. Pahari, Pallab, B. Senapati, and D. Mal. "Regiospecific Synthesis of Isopestacin, a Naturally Occurring Isobenzofuranone Antioxidant." Cheminform 45.26(2004): 5109-5112.

Upstream product

• 850462-64-5 5-fluoro-2-methyl-3-nitrobenzoic acid 
• 697739-03-0 5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester 
• 33184-16-6 5-fluoro-2-methylbenzoic acid 
• 850462-65-6 2-bromomethyl-5-fluoro-3-nitrobenzoic acid methyl ester 

Downstream Products

• 1322879-81-1 methyl 5-fluoro-2-(2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl)-3-nitrobenzoate 
• 1425498-47-0 methyl 3-amino-5-fluoro-2-(2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl)benzoate 
• 1322616-34-1 (Z)-6-fluoro-3-((1-methyl-1H-1,2,4-triazol-5-yl)methylene)-4-nitroisobenzofuran-1(3H)-one 
• 1207453-96-0 methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-imidazol-2-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate 
• 1207455-88-6 ethyl 7-fluoro-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-2-phenyl-1,2,3,4-tetrahydroquinoline-5-carboxylate 

Relevant articles and documents

The non-canonical target PARP16 contributes to polypharmacology of the PARP inhibitor talazoparib and its synergy with WEE1 inhibitors

PARP inhibitors (PARPis) display single-agent anticancer activity in small cell lung cancer (SCLC) and other neuroendocrine tumors independent of BRCA1/2 mutations. Here, we determine the differential efficacy of multiple clinical PARPis in SCLC cells. Compared with the other PARPis rucaparib, olaparib, and niraparib, talazoparib displays the highest potency across SCLC, including SLFN11-negative cells. Chemical proteomics identifies PARP16 as a unique talazoparib target in addition to PARP1. Silencing PARP16 significantly reduces cell survival, particularly in combination with PARP1 inhibition. Drug combination screening reveals talazoparib synergy with the WEE1/PLK1 inhibitor adavosertib. Global phosphoproteomics identifies disparate effects on cell-cycle and DNA damage signaling thereby illustrating underlying mechanisms of synergy, which is more pronounced for talazoparib than olaparib. Notably, silencing PARP16 further reduces cell survival in combination with olaparib and adavosertib. Together, these data suggest that PARP16 contributes to talazoparib's overall mechanism of action and constitutes an actionable target in SCLC.

METHODS OF USING DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY (ADP-RIBOSE)POLYMERASE (PARP)

Provided herein are methods of treating cancer comprising administering a topoisomerase inhibitor, temozolomide, or a platin in combination with a Compound of Formula (I) or Formula (II), where the substituents Y, Z, A, B, R1, R2, R3, R4 and R5 are as defined herein.