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Amg-487

CAS No.:
473719-41-4
Catalog Number:
AG00DB4Q
Molecular Formula:
C32H28F3N5O4
Molecular Weight:
603.5910
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$257
- +
10mg
99%
1 week
United States
$340
- +
50mg
99%
1 week
United States
$1123
- +
100mg
99%
1 week
United States
$1690
- +
Product Description
Catalog Number:
AG00DB4Q
Chemical Name:
Amg-487
CAS Number:
473719-41-4
Molecular Formula:
C32H28F3N5O4
Molecular Weight:
603.5910
MDL Number:
MFCD11111772
IUPAC Name:
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
InChI:
InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
InChI Key:
WQTKNBPCJKRYPA-OAQYLSRUSA-N
SMILES:
CCOc1ccc(cc1)n1c(nc2c(c1=O)cccn2)[C@H](N(C(=O)Cc1ccc(cc1)OC(F)(F)F)Cc1cccnc1)C
UNII:
355CGR2CBL
Properties
Complexity:
997  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
603.209g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
603.602g/mol
Monoisotopic Mass:
603.209g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Chemokine receptor antagonists. Journal of medicinal chemistry 20121126
Sequential metabolism of AMG 487, a novel CXCR3 antagonist, results in formation of quinone reactive metabolites that covalently modify CYP3A4 Cys239 and cause time-dependent inhibition of the enzyme. Drug metabolism and disposition: the biological fate of chemicals 20120701
CXCR3 antagonists: quaternary ammonium salts equipped with biphenyl- and polycycloaliphatic-anchors. Bioorganic & medicinal chemistry 20110601
Antagonism of chemokine receptor CXCR3 inhibits osteosarcoma metastasis to lungs. International journal of cancer 20091201
Optimization of a series of quinazolinone-derived antagonists of CXCR3. Bioorganic & medicinal chemistry letters 20090901
An inhibitory metabolite leads to dose- and time-dependent pharmacokinetics of (R)-N-{1-[3-(4-ethoxy-phenyl)-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-2-yl]-ethyl}-N-pyridin-3-yl-methyl-2-(4-trifluoromethoxy-phenyl)-acetamide (AMG 487) in human subjects after multiple dosing. Drug metabolism and disposition: the biological fate of chemicals 20090301
Synthesis and structure-activity relationship of benzetimide derivatives as human CXCR3 antagonists. Bioorganic & medicinal chemistry letters 20081101
Properties