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950769-58-1 | N-(5-tert-Butylisoxazol-3-yl)-N'-[4-[7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CAS No: 950769-58-1 Catalog No: AG003A8H MDL No:MFCD18074524
Product Description
Catalog Number:
AG003A8H
Chemical Name:
N-(5-tert-Butylisoxazol-3-yl)-N'-[4-[7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CAS Number:
950769-58-1
Molecular Formula:
C29H32N6O4S
Molecular Weight:
560.6672
MDL Number:
MFCD18074524
IUPAC Name:
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
InChI:
InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
InChI Key:
CVWXJKQAOSCOAB-UHFFFAOYSA-N
SMILES:
O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1
UNII:
7LA4O6Q0D3
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.221g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
560.673g/mol
Monoisotopic Mass:
560.221g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Palbociclib treatment of FLT3-ITD+ AML cells uncovers a kinase-dependent transcriptional regulation of FLT3 and PIM1 by CDK6. | Blood 20160609 |
| BET protein antagonist JQ1 is synergistically lethal with FLT3 tyrosine kinase inhibitor (TKI) and overcomes resistance to FLT3-TKI in AML cells expressing FLT-ITD. | Molecular cancer therapeutics 20141001 |
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
| 3-Phenyl-1H-5-pyrazolylamine-based derivatives as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3). | Bioorganic & medicinal chemistry letters 20120715 |
| Selective FLT3 inhibition of FLT3-ITD+ acute myeloid leukaemia resulting in secondary D835Y mutation: a model for emerging clinical resistance patterns. | Leukemia 20120701 |
| Validation of ITD mutations in FLT3 as a therapeutic target in human acute myeloid leukaemia. | Nature 20120415 |
| Molecular targeted therapy in acute myeloid leukemia. | Hematology (Amsterdam, Netherlands) 20120401 |
| Comprehensive analysis of kinase inhibitor selectivity. | Nature biotechnology 20111030 |
| Design, synthesis, and evaluation of a novel dual FMS-like tyrosine kinase 3/stem cell factor receptor (FLT3/c-KIT) inhibitor for the treatment of acute myelogenous leukemia. | Journal of medicinal chemistry 20111027 |
| FLT3 inhibition as therapy in acute myeloid leukemia: a record of trials and tribulations. | The oncologist 20110801 |
| FLT3 inhibitors: a story of the old and the new. | Current opinion in hematology 20110301 |
| Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. | Chemistry & biology 20101124 |
| Toward the development of innovative bifunctional agents to induce differentiation and to promote apoptosis in leukemia: clinical candidates and perspectives. | Journal of medicinal chemistry 20101014 |
| FLT3-mutant allelic burden and clinical status are predictive of response to FLT3 inhibitors in AML. | Blood 20100218 |
| Identification of N-(5-tert-butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea dihydrochloride (AC220), a uniquely potent, selective, and efficacious FMS-like tyrosine kinase-3 (FLT3) inhibitor. | Journal of medicinal chemistry 20091210 |
| AC220 is a uniquely potent and selective inhibitor of FLT3 for the treatment of acute myeloid leukemia (AML). | Blood 20091001 |
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