1322616-34-1

Basic information

• Product Name: 1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-
• Synonyms: 1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-;(Z)-6-fluoro-3-((1-Methyl-1H-1,2,4-triazol-5-yl)Methylene)-4-nitroisobenzofuran-1(3H)-one
• CAS NO: 1322616-34-1
• Molecular Formula: C₁₂H₇FN₄O₄
• Molecular Weight: 290.2067832
• Mol File: 1322616-34-1.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-(1322616-34-1)
• EPA Substance Registry System: 1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-(1322616-34-1)

Safety Data

• Hazardous Substances Data: 1322616-34-1(Hazardous Substances Data)

Usage

Explanation

The full name of the compound, which describes its structure and functional groups.

Explanation

The compound has various functional groups that contribute to its properties and potential applications.

Explanation

It is a cyclic compound with a ketone functional group, which is part of the isobenzofuranone family.

Explanation

These groups are responsible for the compound's reactivity, stability, and potential applications.

Explanation

The compound has a specific stereochemistry, with the Z configuration at the 3-position.

Explanation

Due to its unique molecular structure and properties, the compound may be useful in various fields.

Explanation

The presence of a ketone, fluoro, methyl, nitro, and triazol-5-yl groups allows for various chemical reactions to occur.

Explanation

The stability of the compound can be influenced by factors such as temperature, pH, and the presence of other chemicals.

Explanation

The solubility of the compound is not provided, but it can be inferred that the presence of different functional groups may affect its solubility in various solvents.

Explanation

The toxicity of the compound is not provided, but it is important to consider potential hazards when working with complex organic compounds.

Molecular Structure

Contains a fluoro group, a methyl group, a nitro group, and a triazol-5-yl moiety.

Classification

3(2H)-furanone

Functional Groups

Ketone, fluoro, methyl, nitro, and triazol-5-yl.

Stereoisomer

(3Z)-

Potential Applications

Pharmaceuticals, materials science, or other industries.

Reactivity

May undergo reactions based on its functional groups.

Stability

Depends on the conditions and the presence of other reactants.

Solubility

Unknown, but may be influenced by its functional groups.

Toxicity

Unknown, but should be considered during handling and application.

Upstream product

• 697739-03-0 5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester 
• 850462-65-6 2-bromomethyl-5-fluoro-3-nitrobenzoic acid methyl ester 
• 1207453-90-4 6-fluoro-4-nitroisobenzofuran-1(3H)-one 
• 108-24-7 acetic anhydride 
• 4343-71-9 1H-1,2,3-triazole-4-carbaldehyde 
• 99651-37-3 2-methyl-2H-1,2,4-triazole-3-carbaldehyde 

Downstream Products

• 1207456-01-6 ((11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5⁽¹³⁾,6,8-tetraen-4-one) 
• 1207456-00-5 (8R,9S)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3 ,2-de] phthalazin-3(7H)-one 
• 1207454-56-5 5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one 
• 1322616-36-3 methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate 
• 1322616-38-5 (E)-7-fluoro-5-(4-fluorobenzylideneamino)-4-((1-methyl-1H-1,2,4-triazol-5-yl)methyl)phthalazin-1(2H)-one 
• 1322616-39-6 (E)-methyl 5-fluoro-2-(3-(4-fluorophenyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)acryloyl)-3-nitrobenzoate 
• 1322616-40-9 methyl 7-fluoro-2-(4-fluorophenyl)-1-hydroxy-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate 
• 1373329-52-2 (2R,3R)-methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate 
• 1322879-81-1 methyl 5-fluoro-2-(2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl)-3-nitrobenzoate 
• 1322616-35-2 methyl 5-fluoro-2-(2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl)-3-nitrobenzoate hydrochloride 
• 1425498-47-0 methyl 3-amino-5-fluoro-2-(2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl)benzoate 

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.

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