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Home Aminos 1-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea

1-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea

CAS No.:
630124-46-8
Catalog Number:
AG003AIY
Molecular Formula:
C26H30F3N7O2
Molecular Weight:
529.5573
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$93
- +
5mg
≥98%
1 week
United States
$183
- +
10mg
≥98%
1 week
United States
$291
- +
25mg
≥98%
1 week
United States
$598
- +
Product Description
Catalog Number:
AG003AIY
Chemical Name:
1-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea
CAS Number:
630124-46-8
Molecular Formula:
C26H30F3N7O2
Molecular Weight:
529.5573
MDL Number:
MFCD08353320
IUPAC Name:
1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
InChI:
InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
InChI Key:
ODPGGGTTYSGTGO-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC
UNII:
W34UO2M4T6
Properties
Complexity:
730  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.241g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
529.568g/mol
Monoisotopic Mass:
529.241g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Comprehensive analysis of kinase inhibitor selectivity. Nature biotechnology 20111030
Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives. European journal of medicinal chemistry 20110601
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. Chemistry & biology 20101124
Antileukemic effects of the novel, mutant FLT3 inhibitor NVP-AST487: effects on PKC412-sensitive and -resistant FLT3-expressing cells. Blood 20081215
A quantitative analysis of kinase inhibitor selectivity. Nature biotechnology 20080101
The RET kinase inhibitor NVP-AST487 blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells. Cancer research 20070715
Properties