93824-72-7

Basic information

• Product Name: 3-CHLORO-5,6-DIMETHYLPYRIDAZINE-4-CARBONITRILE
• Synonyms: 3-CHLORO-5,6-DIMETHYLPYRIDAZINE-4-CARBONITRILE
• CAS NO: 93824-72-7
• Molecular Formula: C₇H₆ClN₃
• Molecular Weight: 167.6
• Mol File: 93824-72-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 79-80 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 397.7°Cat760mmHg
• Flash Point: 194.3°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 1.56E-06mmHg at 25°C
• Refractive Index: 1.547
• PKA: -1.30±0.10(Predicted)
• CAS DataBase Reference: 3-CHLORO-5,6-DIMETHYLPYRIDAZINE-4-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-5,6-DIMETHYLPYRIDAZINE-4-CARBONITRILE(93824-72-7)
• EPA Substance Registry System: 3-CHLORO-5,6-DIMETHYLPYRIDAZINE-4-CARBONITRILE(93824-72-7)

Safety Data

• Hazardous Substances Data: 93824-72-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H6ClN3/c1-4-5(2)10-11-7(8)6(4)3-9/h1-2H3

Upstream product

• 40380-36-7 5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile 

Downstream Products

• 1452226-14-0 5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxylic acid 
• 1451997-78-6 C₁₇H₁₇FN₄O₂S 
• 1451994-10-7 5-amino-N-(3-fluoro-4-methoxybenzyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide 
• 1451994-15-2 C₁₆H₁₆N₄O₂S 
• 1451993-40-0 5-amino-N-(4-methoxybenzyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide 
• 1451994-72-1 5-amino-N-(3-fluoro-4-hydroxybenzyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide 
• 1451996-23-8 C₁₇H₁₆F₂N₄O₂S 
• 1451993-20-6 5-amino-N-(4-((fluoromethyl)sulfonyl)benzyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide 
• 1451993-70-6 C₂₀H₂₄N₄O₃S₂ 
• 1451994-12-9 C₁₉H₂₀N₄O₃S₂ 
• 1451993-71-7 C₁₉H₂₂N₄O₃S₂ 
• 1451993-67-1 C₁₇H₁₈N₄O₃S₂ 
• 1451993-47-7 C₁₇H₁₈N₄O₃S₂ 
• 1451993-58-0 C₁₇H₁₈N₄O₂S₂ 

Relevant articles and documents

Synthesis and Preliminary Evaluation of 11C-Labeled VU0467485/AZ13713945 and Its Analogues for Imaging Muscarinic Acetylcholine Receptor Subtype 4

Muscarinic acetylcholine receptors (mAChRs) have five distinct subunits (M1–M5) and are involved in the action of the neurotransmitter acetylcholine in the central and peripheral nervous system. Attributed to the promising clinical efficacy of xanomeline, an M1/M4-preferring agonist, in patients of schizophrenia and Alzheimer's disease, M1- or M4-selective mAChR modulators have been developed that target the topographically distinct allosteric sites. Herein we report the synthesis and preliminary evaluation of 11C-labeled positron emission tomography (PET) ligands based on a validated M4R positive allosteric modulator VU0467485 (AZ13713945) to facilitate drug discovery. [11C]VU0467485 and two other ligands were prepared in high radiochemical yields (>30 %, decay-corrected) with high radiochemical purity (>99 %) and high molar activity (>74 GBq μmol?1). In vitro autoradiography studies indicated that these three ligands possess moderate-to-high in vitro specific binding to M4R. Nevertheless, further physiochemical property optimization is necessary to overcome the challenges associated with limited brain permeability.