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1000669-72-6,MFCD18385006
Catalog No.:AA0000Q5
1000669-72-6 | Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-
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5mg
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$112.00
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10mg
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$150.00
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25mg
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$295.00
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50mg
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100mg
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000Q5
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
Computed 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  

Synonyms
 
KW 2449 
KW-2449 
(E)-(4-(2-(1H-Indazol-3-yl)vinyl)-phenyl)(piperazin-1-yl)methanone 
(E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone 
J-502761 
[4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone 
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone 
Methanone, (4-(2-(1H-indazol-3-yl)ethenyl)phenyl)-1-piperazinyl- 
Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl- 
YYLKKYCXAOBSRM-JXMROGBWSA-N 
(E)-(4-(2-(1H-Indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone hydrochloride 
KW-2449 Hydrochloride 
KW2449 
MLS006011271 
GTPL5691 
SCHEMBL1596894 
SCHEMBL1596897 
CHEBI:91441 
BCP02848 
EX-A2306 
BDBM50355496 
MFCD18385006 
s2158 
KW-2449 
ZINC43201999 
AKOS027460993 
BCP9000826 
CS-0231 
RL00013 
SB19381 
NCGC00346569-07 
841258-76-2 
AC-28419 
HY-10339 
1000669-72-6 
SMR004703021 
SW219852-1 
X7371 
W-5753 
(E)-1-{4-[2-(1H-indazol-3-yl)vinyl]benzoyl}piperazine 
1000669-72-6 , KW 2449, KW-2449 
3-[(E)-2-[4-(piperazine-1-carbonyl)phenyl]ethenyl]-1H-indazole 
Piperazine, 1-(4-((1E)-2-(1H-indazol-3-yl)ethenyl)benzoyl)- 
(4-((1E)-2-(1H-Indazol-3-yl)ethenyl)phenyl)-1-piperazinylmethanone 
3-[(E)-2-{4-[(piperazin-1-yl)carbonyl]phenyl}ethenyl]-2H-indazole 
KW 2449 
841259-17-4 
D00ABO 
cc-533 
C20H20N4O 
CID11427553 
Tumor antigen-specific mAb (cancer), Kyowa 
A10508 
[4-[(1E)-2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone 
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-yl-methanone 
Tumor antigen-specific monoclonal antibody (cancer), Kyowa Hakko Kirin 
KW2449 
Tumor antigen-specific monoclonal antibody (cancer), Kyowa Hakko Kogyo 
UNII-2D9N67F58G 
CHEMBL1908397 
2D9N67F58G 
Literature

Title: Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3.

Journal: Journal of medicinal chemistry 20131024

Title: Comprehensive analysis of kinase inhibitor selectivity.

Journal: Nature biotechnology 20111030

Title: 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.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20110515

Title: FLT3 ligand impedes the efficacy of FLT3 inhibitors in vitro and in vivo.

Journal: Blood 20110324

Title: Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.

Journal: Chemistry & biology 20101124

Title: [FLT3 kinase inhibitors for the treatment of acute leukemia].

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology 20100601

Title: FLT3-mutant allelic burden and clinical status are predictive of response to FLT3 inhibitors in AML.

Journal: Blood 20100218

Title: KW-2449, a novel multikinase inhibitor, suppresses the growth of leukemia cells with FLT3 mutations or T315I-mutated BCR/ABL translocation.

Journal: Blood 20090820

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