956477-64-8

Basic information

• Product Name: N-difluoroMenthyl-4-nitropyrazole
• Synonyms: N-difluoroMenthyl-4-nitropyrazole;Methyl 3,4-dihydroxy-2,5-diMethylbenzoate
• CAS NO: 956477-64-8
• Molecular Formula: C₄H₃F₂N₃O₂
• Molecular Weight: 196.19988
• EINECS: -0
• Mol File: 956477-64-8.mol

Chemical Properties

• Boiling Point: 87-90℃ (20 Torr)
• Appearance: /
• Density: 1.71±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -5.19±0.19(Predicted)
• CAS DataBase Reference: N-difluoroMenthyl-4-nitropyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: N-difluoroMenthyl-4-nitropyrazole(956477-64-8)
• EPA Substance Registry System: N-difluoroMenthyl-4-nitropyrazole(956477-64-8)

Safety Data

• Hazardous Substances Data: 956477-64-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Applications:
N-difluoroMenthyl-4-nitropyrazole is used as a potential pharmaceutical compound for its unique structural features, which may offer novel therapeutic properties. The presence of the nitro group, difluoromethyl group, and menthyl group could contribute to its potential as a drug candidate, although further research and validation are required to determine its specific applications and efficacy.
Used in Synthetic Material Production:
N-difluoroMenthyl-4-nitropyrazole is used as a component in the synthesis of advanced materials, leveraging its unique chemical structure to create new compounds with desired properties. The combination of the pyrazole ring, nitro group, difluoromethyl group, and menthyl group may provide opportunities for the development of innovative materials with applications in various industries.

Upstream product

• 2075-46-9 4-nitro-1H-pyrazole 
• 65094-22-6 diethyl (bromodifluoromethyl)phosphonate 
• 1895-39-2 sodium chlorodifluoroacetate 
• 75-45-6 Chlorodifluoromethane 
• 908014-77-7 N-difluoromethylpyrazole 

Downstream Products

• 1174309-16-0 1-(difluoromethyl)-1H-pyrazol-4-amine 

Relevant articles and documents

Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy

Factor XIa (FXIa) is an enzyme in the coagulation cascade thought to amplify thrombin generation but has a limited role in hemostasis. From preclinical models and human genetics, an inhibitor of FXIa has the potential to be an antithrombotic agent with superior efficacy and safety. Reversible and irreversible inhibitors of FXIa have demonstrated excellent antithrombotic efficacy without increased bleeding time in animal models (Weitz, J. I., Chan, N. C. Arterioscler. Thromb. Vasc. Biol. 2019, 39 (1), 7-12). Herein, we report the discovery of a novel series of macrocyclic FXIa inhibitors containing a pyrazole P2′ moiety. Optimization of the series for (pharmacokinetic) PK properties, free fraction, and solubility resulted in the identification of milvexian (BMS-986177/JNJ-70033093, 17, FXIa Ki = 0.11 nM) as a clinical candidate for the prevention and treatment of thromboembolic disorders, suitable for oral administration.

CRYSTALLINE FORMS OF (9R, 135S)-13- {4-[5-CHLORO-2-(4-CHLORO-1H,2,3- TRIAZOL- 1 -YL)PHENYL] -6-OXO- 1,6-DIHYDROPYRIMIDIN- 1-YL}-3-(DIFLUOROMETHYL)-9-METHYL-3,4,7,15- TETRAAZATRICYCLO [ 12.3.1.02·6] OCTADECA- 1(18), 2(6), 4, 14, 16-PENTAEN-8-ONE

Disclosed are crystalline forms of Compound (I). Compound (I) is useful as an anti-thromboembolic agent in the treatment of cardiovascular diseases.

SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS

The present disclosure relates to compounds of Formula (I): (I) and to their pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory and autoimmune diseases and cancers.

N-Difluoromethylation of imidazoles and pyrazoles using BrCF2PO(OEt)2 under mild condition

A simple and efficient protocol for the direct N-difluoromethylation of imidazoles and pyrazoles has been developed. The reaction makes use of commercially available, non-ozone-depleting and easy handling BrCF2PO(OEt)2 as difluorocarbene precursor, and provides a cost-efficient and environmentally benign access to some difluoromethylated biologically relevant molecules.

FACTOR XIa INHIBITORS

The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XIa inhibitors or dual inhibitors of Factor XIa and plasma Kallikrein.

COMPOUNDS USEFUL AS CSF1 MODULATORS

This invention relates to novel compounds and to pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as Colony Stimulating Factor 1 Receptor (cFMS) modulators (e.g. cFMS inhibitors). This invention also relates to processes for preparing the compounds, uses of the compounds in treatment and methods of treatment employing the compounds. Specifically, the invention relates to the use of the compounds for the treatment of cancer and autoimmune diseases.

MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS

The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective factor XIa inhibitors or dual inhibitors of

MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES

The present invention provides compounds of Formula (Ia): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective factor XIa inhibitors or dual inhibitors of FXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

[1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS

Novel [1,2,4]triazolo[1,5-a]pyridine compounds are disclosed that have a Formula represented by the following: (I). The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, joint disease, inflammation, and others.

Chemical properties of derivatives of N-difluoromethyl-and N-2-H-tetrafluoroethylpyrazoles

Nitration, chlorination, bromination, and iodination reactions have been investigated for pyrazole derivatives containing a difluoromethylene fragment directly on a nitrogen atom. Conditions have been found for introducing a cyano group into the nucleus of N-2-H-tetrafluoroethylpyrazole and converting it into carboxyl or tetrazole functions. Springer Science+Business Media, Inc. 2006.