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Home Aminos N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide

N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide

CAS No.:
702675-74-9
Catalog Number:
AG005KFA
Molecular Formula:
C23H26IN7O2S
Molecular Weight:
591.4677
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$147
- +
10mg
≥98%
1 week
United States
$229
- +
25mg
≥98%
1 week
United States
$418
- +
50mg
99%
1 week
United States
$673
- +
100mg
99%
1 week
United States
$890
- +
200mg
99%
1 week
United States
$1557
- +
Product Description
Catalog Number:
AG005KFA
Chemical Name:
N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide
CAS Number:
702675-74-9
Molecular Formula:
C23H26IN7O2S
Molecular Weight:
591.4677
MDL Number:
MFCD12546134
IUPAC Name:
N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
InChI:
InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
InChI Key:
VAVXGGRQQJZYBL-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCCNC(=O)c1cccs1)I
Properties
Complexity:
669  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.091g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
591.472g/mol
Monoisotopic Mass:
591.091g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Therapeutic potential of targeting TBK1 in autoimmune diseases and interferonopathies. Pharmacological research 20160901
Targeting TBK1 inhibits migration and resistance to MEK inhibitors in mutant NRAS melanoma. Molecular cancer research : MCR 20141001
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKε kinases. Bioorganic & medicinal chemistry letters 20121201
Inhibitor hijacking of Akt activation. Nature chemical biology 20090701
The selectivity of protein kinase inhibitors: a further update. The Biochemical journal 20071215
Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1. The Journal of biological chemistry 20050520
Properties