Camicinal

Base Information

• Chemical Name: Camicinal
• CAS No.: 923565-21-3
• Molecular Formula: C₂₅H₃₃FN₄O
• Molecular Weight: 424.562
• European Community (EC) Number: 629-903-3,691-698-1
• UNII: 3C8348951H
• ChEMBL ID: CHEMBL489095
• DSSTox Substance ID: DTXSID901025606
• Metabolomics Workbench ID: 153534
• NCI Thesaurus Code: C166668
• Nikkaji Number: J2.917.194G
• Pharos Ligand ID: UNXKGYZPTJGX
• Wikidata: Q27075653
• Wikipedia: Camicinal
• Mol file: 923565-21-3.mol

Synonyms:camicinal;GSK962040;N-(3-fluorophenyl)-1-((4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine

Chemical Property of Camicinal

Chemical Property:

• Melting Point: 144℃
• Boiling Point: 610.0±55.0 °C(Predicted)
• PKA: 9.21±0.40(Predicted)
• PSA: 47.61000
• Density: 1.175±0.06 g/cm3(Predicted)
• LogP: 3.54260
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 424.26383985
• Heavy Atom Count: 31
• Complexity: 560

Purity/Quality:

99%+, ^*data from raw suppliers

GSK962040 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=CC=C4)F
• Isomeric SMILES: C[C@H]1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=CC=C4)F
• Recent ClinicalTrials: Dose Response of 28 Days of Dosing of GSK962040 in Type I and II Diabetic Male and Female Subjects With Gastroparesis
• Recent EU Clinical Trials: A randomized, double-blind, placebo-controlled, parallel group, dose ranging study to assess the effect of repeat doses of GSK962040 on the pharmacokinetics of levodopa in subjects with Parkinson’s disease exhibiting delayed gastric emptying

Technology Process of Camicinal

There total 3 articles about Camicinal 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: 100.0%

1,1-dimethylethyl (2S)-4-([4-(2-(4-[(3-fluorophenyl)amino]-1-piperidinyl)-2-oxoethyl)phenyl]methyl)-2-methyl-1-piperazinecarboxylate (923565-74-6) → N-(3-fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (923565-21-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm801332q

Reference yield: 37.0%

phenylmethyl (2R)-4-([4-(2-(4-[(3-fluorophenyl)amino]-1-piperidinyl)-2-oxoethyl)phenyl]methyl)-2-methyl-1-piperazinecarboxylate (923565-78-0) → N-(3-fluorophenyl)-1-[(4-([(3R)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (923565-21-3)

Guidance literature:

With hydrogen; palladium; In methanol; for 0.75h;

DOI:10.1021/jm801332q

Reference yield:

phenylmethyl (2S)-4-((4-(2-(4-((3-fluorophenyl)amino)-1-piperidinyl)-2-oxoethyl)phenyl)methyl)-2-methyl-1-piperazinecarboxylate (923565-93-9) → N-(3-fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (923565-21-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 2h; Product distribution / selectivity;

upstream raw materials:

phenylmethyl (2S)-4-((4-(2-(4-((3-fluorophenyl)amino)-1-piperidinyl)-2-oxoethyl)phenyl)methyl)-2-methyl-1-piperazinecarboxylate

1,1-dimethylethyl (2S)-4-([4-(2-(4-[(3-fluorophenyl)amino]-1-piperidinyl)-2-oxoethyl)phenyl]methyl)-2-methyl-1-piperazinecarboxylate

phenylmethyl (2R)-4-([4-(2-(4-[(3-fluorophenyl)amino]-1-piperidinyl)-2-oxoethyl)phenyl]methyl)-2-methyl-1-piperazinecarboxylate

Refernces

• 1、 -. "COMPOUNDS". Page/Page column 50. . Retrieved 2008/06/13.