Mardepodect

Base Information

• Chemical Name: Mardepodect
• CAS No.: 898562-94-2
• Molecular Formula: C25H20 N4 O
• Molecular Weight: 392.46
• Hs Code.: 2933990090
• UNII: R9Y8EY0G42
• ChEMBL ID: CHEMBL562318
• DSSTox Substance ID: DTXSID001025873
• Metabolomics Workbench ID: 151524
• NCI Thesaurus Code: C170150
• Nikkaji Number: J2.712.783E
• Pharos Ligand ID: K2BT46HZLK5X
• Wikidata: Q7119048
• Wikipedia: Mardepodect
• Mol file: 898562-94-2.mol

Synonyms:((11)C)MP-10;(11C)MP-10 cpd;2-((4-(1-((11)C)methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)-quinoline;2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline;MP-10 compound;PF-02545920;PF-2545920;PF-920

Chemical Property of Mardepodect

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.661
• Boiling Point: 568.569ºC at 760 mmHg
• PKA: 4.32±0.10(Predicted)
• Flash Point: 297.66ºC
• PSA: 52.83000
• Density: 1.216g/cm3
• LogP: 5.27630
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 392.16371127
• Heavy Atom Count: 30
• Complexity: 531

Purity/Quality:

97% ^*data from raw suppliers

PF-2545920(MP-10) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5
• Recent ClinicalTrials: Study Investigating the Safety and Tolerability of Multiple Doses of PF-02545920 in Subjects With Schizophrenia
• Recent EU Clinical Trials: AN OPEN LABEL EXTENSION STUDY TO INVESTIGATE THE LONG TERM SAFETY, TOLERABILITY AND EFFICACY OF PF-02545920 IN SUBJECTS WITH HUNTINGTON’S DISEASE WHO PREVIOUSLY COMPLETED STUDY A8241021

Technology Process of Mardepodect

There total 11 articles about Mardepodect which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 56.0%

2-((4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline (871507-11-8) + methylhydrazine (60-34-4) → 2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline (898562-94-2)

Guidance literature:

With sulfuric acid; In ethanol; at 20 ℃; for 1h;

Reference yield: 56.0%

3-(dimethylamino)-2-(pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)prop-2-en-1-one (871507-16-3) + methylhydrazine (60-34-4) → 2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline (898562-94-2) + 2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline (898562-93-1)

Guidance literature:

With sulfuric acid; In ethanol; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jm900521k

Reference yield: 51.0%

2-((4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline (871507-11-8) + methylhydrazine (60-34-4) → 2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline (898562-94-2) + 2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline (898562-93-1)

Guidance literature:

With sulfuric acid; In ethanol; for 1h; Reflux;

DOI:10.1016/j.bmc.2011.01.032

upstream raw materials:

2-((4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

methylhydrazine

3-(dimethylamino)-2-(pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)prop-2-en-1-one

2-Chloromethylquinoline

Downstream raw materials:

MP-10 succinate