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1000669-72-6

1000669-72-6 | Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-

CAS No: 1000669-72-6 Catalog No: AG0000SX MDL No:MFCD18385006

Product Description

Catalog Number:
AG0000SX
Chemical Name:
Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-
CAS Number:
1000669-72-6
Molecular Formula:
C20H20N4O
Molecular Weight:
332.3990
MDL Number:
MFCD18385006
IUPAC Name:
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone
InChI:
InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
InChI Key:
YYLKKYCXAOBSRM-JXMROGBWSA-N
SMILES:
O=C(c1ccc(cc1)C=Cc1n[nH]c2c1cccc2)N1CCNCC1
UNII:
2D9N67F58G

Properties

Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
332.164g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
332.407g/mol
Monoisotopic Mass:
332.164g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. Journal of medicinal chemistry 20131024
Comprehensive analysis of kinase inhibitor selectivity. Nature biotechnology 20111030
HDAC inhibitors potentiate the activity of the BCR/ABL kinase inhibitor KW-2449 in imatinib-sensitive or -resistant BCR/ABL+ leukemia cells in vitro and in vivo. Clinical cancer research : an official journal of the American Association for Cancer Research 20110515
FLT3 ligand impedes the efficacy of FLT3 inhibitors in vitro and in vivo. Blood 20110324
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. Chemistry & biology 20101124
[FLT3 kinase inhibitors for the treatment of acute leukemia]. [Rinsho ketsueki] The Japanese journal of clinical hematology 20100601
FLT3-mutant allelic burden and clinical status are predictive of response to FLT3 inhibitors in AML. Blood 20100218
KW-2449, a novel multikinase inhibitor, suppresses the growth of leukemia cells with FLT3 mutations or T315I-mutated BCR/ABL translocation. Blood 20090820

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