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Pf-04620110

CAS No.:
1109276-89-2
Catalog Number:
AG008TIY
Molecular Formula:
C21H24N4O4
Molecular Weight:
396.4397
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$157
- +
10mg
≥98%
1 week
United States
$232
- +
25mg
≥98%
1 week
United States
$468
- +
50mg
99%
1 week
United States
$657
- +
100mg
99%
1 week
United States
$1140
- +
Product Description
Catalog Number:
AG008TIY
Chemical Name:
Pf-04620110
CAS Number:
1109276-89-2
Molecular Formula:
C21H24N4O4
Molecular Weight:
396.4397
MDL Number:
MFCD19443642
IUPAC Name:
2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohexyl]acetic acid
InChI:
InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)
InChI Key:
GEVVQZHMFVFGLN-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCC(CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2
UNII:
CQ4M18RLJW
Properties
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.18g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
396.447g/mol
Monoisotopic Mass:
396.18g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core. Bioorganic & medicinal chemistry letters 20111015
Discovery of PF-04620110, a Potent, Selective, and Orally Bioavailable Inhibitor of DGAT-1. ACS medicinal chemistry letters 20110512
Properties