c-FMS inhibitor

Base Information

• Chemical Name: c-FMS inhibitor
• CAS No.: 885704-21-2
• Molecular Formula: C₂₃H₃₀N₆O
• Molecular Weight: 406.531
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL254702
• DSSTox Substance ID: DTXSID80470106
• Pharos Ligand ID: 2AGKWZVWG6T3
• Wikidata: Q27163289
• Mol file: 885704-21-2.mol

Synonyms:c-FMS inhibitor;885704-21-2;c-Fms-IN-3;CHEMBL254702;4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide;4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide;4-Cyano-N-[4-(4-methyl-1-piperazinyl)-2-(4-methyl-1-piperidinyl)phenyl]-1H-pyrrole-2-carboxamide;4-Cyano-1H-pyrrole-2-carboxylic acid [4-(4-methyl-piperazin-1-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide;arylamide, 8;FMS inhibitor compound 8;FMS inhibitor compound 1b;MLS006010297;c-FMS-IN-8;SCHEMBL13405731;BDBM27917;CHEBI:91443;DTXSID80470106;DXPSQKSTVIVZLV-UHFFFAOYSA-N;HMS3672I19;HMS3747I17;BCP21866;AKOS016012128;CS-0838;NCGC00348107-01;NCGC00348107-03;CID 11654378;HY-13075;MS-26976;SMR004701365;E98964;Q27163289

Chemical Property of c-FMS inhibitor

Chemical Property:

• Boiling Point: 582.7±50.0 °C(Predicted)
• PKA: 12.96±0.50(Predicted)
• PSA: 78.40000
• Density: 1.26
• LogP: 3.26768
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 406.24810960
• Heavy Atom Count: 30
• Complexity: 631

Purity/Quality:

97% ^*data from raw suppliers

C-FMS INHIBITOR 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C)NC(=O)C4=CC(=CN4)C#N

Technology Process of c-FMS inhibitor

There total 6 articles about c-FMS inhibitor 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: 87.8%

4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)aniline (1160474-88-3) + 4-cyanopyrrole-2-carboxylic acid (80242-24-6) → 4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide (885704-21-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 55.0%

→ 4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide (885704-21-2)

Guidance literature:

Reference yield:

4-chloro-2-fluoro-nitrobenzene (700-37-8) → 4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide (885704-21-2)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol / 0.67 h / 0 - 23 °C

2: 12 h / 138 °C / Inert atmosphere

3: ammonium chloride; zinc / tetrahydrofuran; methanol; water / 1 h / 90 °C / Reflux

4: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C

With ammonium chloride; N-ethyl-N,N-diisopropylamine; HATU; zinc; In tetrahydrofuran; methanol; ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)aniline

4-cyanopyrrole-2-carboxylic acid

4-chloro-2-fluoro-nitrobenzene

4-methylpiperidin