Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans-

Base Information

• Chemical Name: Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans-
• CAS No.: 193551-21-2
• Molecular Formula: C20H21FN4O2
• Molecular Weight: 368.411
• Hs Code.: 2933599590
• UNII: HII3DC8CPI
• DSSTox Substance ID: DTXSID90274455
• Nikkaji Number: J1.314.706J,J1.650.267G
• Wikidata: Q27163223,Q27162643
• Pharos Ligand ID: WTMP4X3NAJ9N,WTMXZDDFMR1M
• ChEMBL ID: CHEMBL97162,CHEMBL256835,CHEMBL4166018
• Mol file: 193551-21-2.mol

Synonyms:SB 239063;SB-239063;trans-1-(4-hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyridimidin-4-yl)imidazole

Chemical Property of Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans-

Chemical Property:

• Vapor Pressure: 5.42E-15mmHg at 25°C
• Melting Point: 206-207.2?°C
• Boiling Point: 594.8°C at 760 mmHg
• Flash Point: 313.5°C
• PSA: 73.06000
• Density: 1.35g/cm³
• LogP: 3.63080
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 11 mg/mL
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 368.16485409
• Heavy Atom Count: 27
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

SB 239063 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F
• Uses: SB239063 is neuroprotective, decreases the number of activated microglia and facilitates neurogenesis in oxygen-glucose-deprived hippocampal slice cultures. A protein kinase inhibitor SB 239063 has been used to determine the roles of c-Jun N-terminal kinase (JNK), p38 MAP kinase, and extracellular signal regulated protein kinase (ERK)/p42/p44 mitogen activated protein kinase (MAPK) on the viability and apoptosis of cardiomyocytes under glutathione S-transferase (GST) inhibition. It has also been used in neuron-microglia conditioned media (CM) experiments and pharmacokinetics.

Technology Process of Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans-

There total 4 articles about Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans- 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: 63.0%

5-[4-(2-methoxy)pyrimidinyl]-4-(4-fluorophenyl)-1-(4-oxocyclohexyl)imidazole (193551-20-1) + BH4 → trans-1-(4-hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazole (193551-21-2)

Guidance literature:

With sodium tetrahydroborate; sodium methylate; sodium carbonate; In tetrahydrofuran; methanol;

Reference yield: 63.0%

5-[4-(2-methoxy)pyrimidinyl]-4-(4-fluorophenyl)-1-(4-oxocyclohexyl)imidazole (193551-20-1) → trans-1-(4-hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazole (193551-21-2)

Guidance literature:

With sodium tetrahydroborate; sodium methylate; sodium carbonate; In tetrahydrofuran; methanol;

Reference yield: 63.0%

5-[4-(2-methoxy)pyrimidinyl]-4-(4-fluorophenyl)-1-(4-oxocyclohexyl)imidazole (193551-20-1) + BH4 + sodium carbonate (497-19-8) → trans-1-(4-hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazole (193551-21-2)

Guidance literature:

With sodium tetrahydroborate; sodium methylate; In tetrahydrofuran; methanol;

upstream raw materials:

5-[4-(2-methoxy)pyrimidinyl]-4-(4-fluorophenyl)-1-(4-oxocyclohexyl)imidazole

sodium carbonate

Refernces

• 1、 -. "Cycloalkyl substituted imidazoles". . . Retrieved 2008/06/13.