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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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