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Pemafibrate

CAS No.:
848259-27-8
Catalog Number:
AG00G7DN
Molecular Formula:
C28H30N2O6
Molecular Weight:
490.5476
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Product Description
Catalog Number:
AG00G7DN
Chemical Name:
Pemafibrate
CAS Number:
848259-27-8
Molecular Formula:
C28H30N2O6
Molecular Weight:
490.5476
MDL Number:
MFCD30533427
IUPAC Name:
(2R)-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
InChI:
InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
InChI Key:
ZHKNLJLMDFQVHJ-RUZDIDTESA-N
SMILES:
COc1ccc(cc1)OCCCN(c1nc2c(o1)cccc2)Cc1cccc(c1)O[C@@H](C(=O)O)CC
UNII:
17VGG92R23
Properties
Complexity:
658  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
490.21g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
490.556g/mol
Monoisotopic Mass:
490.21g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Literature
Title Journal
Newly developed PPAR-alpha agonist (R)-K-13675 inhibits the secretion of inflammatory markers without affecting cell proliferation or tube formation. Atherosclerosis 20090301
Synthesis of highly deuterium-labeled (R)-K-13675, PPAR alpha agonist, for use as an internal standard for low-level quantification of drugs in plasma. Bioorganic & medicinal chemistry 20090301
Design and synthesis of highly potent and selective human peroxisome proliferator-activated receptor alpha agonists. Bioorganic & medicinal chemistry letters 20070815
Properties