(S)-1-(4-Fluoro-1-methyl-1H-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-1H-imidazol-2(3H)-one

Manufacturer: Hangzhou Royalchem Co.,LTD.

Website:   www.cnroyalchem.com

【 Providing a complete set of intermediates and impurities for Orforglipron 】

【 Providing a complete set of intermediates and impurities for Orforglipron 】

【 Providing a complete set of intermediates and impurities for Orforglipron 】

Here is a detailed product description for the compound  (S)-1-(4-Fluoro-1-methyl-1H-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-1H-imidazol-2(3H)-one  (CAS: 2212022-56-3):

1. Product Identification  *  Chemical Name:  (S)-1-(4-Fluoro-1-methyl-1H-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-1H-imidazol-2(3H)-one *  Synonyms:  Often referred to by its research code or abbreviated name in internal documentation (e.g., PF-XXXXX, specific to the originating lab/pharma co.). *  CAS Registry Number:  2212022-56-3 (Identifier for this specific compound) *  Molecular Formula:  C₃₂H₃₁F₂N₇O *  Molecular Weight:  591.64 g/mol .

2. Chemical Structure & Key Features  *  Core Scaffolds:  Integrates three distinct heterocyclic pharmacophores: *  1H-Imidazol-2(3H)-one:  Central urea-like core forming the imidazolone ring. *  4-Fluoro-1-methyl-1H-indazole:  Attached at the N1 position of the imidazolone. *  4-Methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine:  A partially saturated bicyclic system attached at the N3 position of the imidazolone. This scaffold carries: * A  2-(4-Fluoro-3,5-dimethylphenyl)  substituent on the pyrazole nitrogen. * A  4-methyl  group on the piperidine-like ring nitrogen. *  Substituents:  *  Fluorine Atoms:  Two fluorine atoms (one on the indazole, one on the distal phenyl ring) enhancing metabolic stability, influencing pKa, and modulating target binding. *  Methyl Groups:  Four methyl groups (one on indazole N1, one on the tetrahydropyridopyrazole bridge N4, two on the distal phenyl ring) influencing lipophilicity, steric bulk, and metabolic profile. *  Saturation:  The pyrazolo-pyridine core is partially saturated (4,5,6,7-tetrahydro), reducing planarity and potentially improving solubility or off-target profiles compared to fully aromatic analogs. *  Chirality:  The stereocenter is located at the carbon alpha to the carbonyl on the imidazolone ring (specifically, the point of attachment to the tetrahydropyridopyrazole nitrogen). The  (S) -configuration is critical for target activity and selectivity.

3. Physicochemical Properties  *  Solubility:  Generally exhibits low solubility in water. Soluble in common organic solvents like dimethyl sulfoxide (DMSO), dimethylformamide (DMF), dichloromethane (DCM), methanol (MeOH), and ethanol (EtOH). Solubility data should be experimentally determined for specific batches. *  logP (Predicted):  High calculated logP (e.g., cLogP ~5-7), indicating significant lipophilicity. This influences permeability, distribution, and formulation requirements. *  pKa (Predicted):  Contains multiple potential protonation sites (basic piperidine-like nitrogen in the tetrahydropyridopyrazole, acidic NH on imidazolone - though tautomerism complicates). The basic nitrogen is likely protonated at physiological pH. Experimental determination is required for precise values. *  Stability:  Generally stable under standard laboratory storage conditions (-20°C). Likely sensitive to strong acids, strong bases, oxidizing agents, prolonged exposure to light, or high temperatures. Solutions in DMSO may be stable for short periods at -20°C but freeze-thaw cycling should be minimized. Stability under specific conditions should be verified.

4. Origin & Application (Primary Context)  *  Research Compound:  This compound is a  highly specialized synthetic organic molecule , primarily developed within the pharmaceutical or biotechnology research sector. *  Targeted Protein Kinase Inhibitor:  Based on its structural motifs: * The imidazolone core linked to a basic nitrogen is characteristic of many kinase inhibitors targeting the ATP-binding site. * The specific substitution pattern (fluoro-indazole, fluoro-dimethylphenyl) suggests optimization for potency and selectivity against specific kinases. *  Likely Indications:  Its structure aligns with inhibitors targeting kinases involved in oncology (e.g., FLT3, TRK family, ALK, JAK, or other tyrosine/serine-threonine kinases) or potentially immunology/inflammation. *  Purpose:  Used exclusively as a  pharmacological tool compound  or a  preclinical candidate  for: * Investigating specific kinase signaling pathways in vitro and in vivo. * Evaluating target engagement and downstream effects in cellular assays. * Profiling selectivity against kinase panels. * Conducting preliminary pharmacokinetic (PK), pharmacodynamic (PD), and toxicology studies in animal models. *  Status:  It is  not a marketed drug or commercially available  for human or veterinary therapeutic use. It exists solely within the research domain.

5. Handling & Storage  *  Storage:  Store tightly sealed in the original container under inert atmosphere (argon or nitrogen) if possible.  Store at -20°C or lower.  Protect from light and moisture. *  Handling:  Use only in a well-ventilated fume hood. Wear appropriate personal protective equipment (PPE): lab coat, safety glasses, and chemically resistant gloves (e.g., nitrile). Avoid contact with skin, eyes, and clothing. Avoid breathing dust. *  Precautions:  Treat as potentially hazardous. Material Safety Data Sheet (MSDS/SDS) based on hazard characterization should be consulted before use. Potential hazards include acute toxicity, skin/eye irritation, and possible mutagenicity/carcinogenicity based on structural alerts common to many kinase inhibitors. Handle with extreme care.

6 . Safety & Regulatory Status  *  Classification:  For research use only (RUO). Not for diagnostic or therapeutic use in humans or animals. *  Toxicity:  Specific toxicity data (acute, chronic, genotoxicity, etc.) are typically proprietary and generated during preclinical development. It must be assumed to be biologically active and potentially toxic. Handle accordingly. *  Disposal:  Dispose of waste and unused material according to institutional, local, and national regulations for hazardous organic chemical waste. Do not dispose of down the drain or with regular trash.