PF-04620110

Base Information

• Chemical Name: PF-04620110
• CAS No.: 1109276-89-2
• Molecular Formula: C21H24N4O4
• Molecular Weight: 396.446
• Hs Code.: 2934999090
• Mol file: 1109276-89-2.mol

Synonyms:PF-04620110;trans-4-[4-(4-Amino-7,8-dihydro-5-oxopyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl]cyclohexaneacetic acid;2-((1r,4r)-4-(4-(4-aMino-5-oxo-7,8-dihydropyriMido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl)acetic acid;2-(4-(4-(4-aMiNA-5-oxo-7,8-dihydropyriMido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl)acetic acid;2-(trans-4-(4-(4-Amino-5-oxo-7,8-dihydropyrimido[5,4-f]-[1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl);Cyclohexaneacetic acid, 4-[4-(4-amino-7,8-dihydro-5-oxopyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl]-, trans-

Chemical Property of PF-04620110

Chemical Property:

• Boiling Point: 701.9±60.0 °C(Predicted)
• PKA: 4.72±0.10(Predicted)
• PSA: 118.64000
• Density: 1.326
• LogP: 3.49270
• Storage Temp.: room temp
• Solubility.: DMSO: soluble10mg/mL (clear solution)

Purity/Quality:

99% ^*data from raw suppliers

PF04620110 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Uses: PF 04620110 is an orally-active, inhibitor that has selectivity towards neutral-diglyceride acyltransferase-1 (DGAT-1).

Technology Process of PF-04620110

There total 3 articles about PF-04620110 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: 95.0%

methyl {trans-4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-(5H)-yl)phenyl]cyclohexyl}acetate (1109276-87-0) → 2-((1r,4r)-4-(4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl)acetic acid (1109276-89-2)

Guidance literature:

With lithium hydroxide; In 1,4-dioxane; water;

DOI:10.1021/ml200051p

Reference yield:

C27H34N4O9 → 2-((1r,4r)-4-(4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl)acetic acid (1109276-89-2)

Guidance literature:

With water; at 37 ℃; pH=7.4; aq. phosphate buffer;

DOI:10.1021/ml200051p

Reference yield:

→ 2-((1r,4r)-4-(4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl)acetic acid (1109276-89-2)

Guidance literature:

upstream raw materials:

methyl {trans-4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-(5H)-yl)phenyl]cyclohexyl}acetate

Downstream raw materials:

2-{trans-4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl]cyclohexyl}-N-(methylsulfonyl)acetamide

4-amino-6-{4-[trans-4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]phenyl}-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one

trans-N-acetyl-N'-(2-{4-[4-(4-amino-5-oxo-7,8-dihydro-5H-9-oxa-1,3,6-triazabenzocyclohepten-6-yl)phenyl]cyclohexyl}acetyl)hydrazine

trans-2-{4-[4-(4-amino-5-oxo-7,8-dihydro-5H-9-oxa-1,3,6-triazabenzocyclohepten-6-yl)phenyl]cyclohexyl}-N-methylacetamide

Refernces

• 1、 Dow, Robert L.,Li, Jian-Cheng,Pence, Michael P.,Gibbs, E. Michael,Laperle, Jennifer L.,Litchfield, John,Piotrowski, David W.,Munchhof, Michael J.,Manion, Tara B.,Zavadoski, William J.,Walker, Gregory S.,McPherson, R. Kirk,Tapley, Susan,Sugarman, Eliot,Guzman-Perez, Angel,Dasilva-Jardine, Paul. "Discovery of PF-04620110, a potent, selective, and orally bioavailable inhibitor of DGAT-1". scheme or table. p. 407 - 412. Retrieved 2011/07/08.
• 2、 -. "SUBSTITUTED BICYCLOLACTAM COMPOUNDS". Page/Page column 18-19. . Retrieved 2009/03/07.