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In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.
Information
UM-164 is a highly potent, dualc-Src/p38inhibitor ofc-Srcwith a binding constant Kd of 2.7 nM for c-Src and inhibits both p38α and p38β.
Targets
p38α ; p38β ; c-Src (Cell-free assay) ; 2.7 nM(Kd)
In vitro
UM-164 binds the inactive kinase conformation of c-Src. UM-164 alters the cell localization of c-Src in TNBC (anti-triple-negative breast cancer) cells. It has potent antiproliferative activity (average GI50 = 160 nmol/L) in all TNBC cell lines tested. UM-164 is a potent inhibitor of p38α and p38β. p38 MAPK phosphorylation is completely absent in SUM 149 cells treated with 50 nmol/L of UM-164. UM-164 can suppress both cell motility and invasion of MDA-MB 231 and SUM 149 cell lines with an IC50 = 50 nmol/L. FAK phosphorylation is inhibited by UM-164 in SUM 149 cells. UM-164 also efficiently reduces activation of EGFR (at both Tyr-845 and Tyr-1068), AKT, and ERK1/2, all of which are not direct targets of UM-164..
In vivo
In xenograft models of TNBC (anti-triple-negative breast cancer), UM-164 results in a significant decrease of tumor growth compared with controls, with limited in vivo toxicity.
Cell Research(from reference)
Cell lines：MDA-MB 468 cells
Concentrations：5 μM
Incubation Time：4 h
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Spezifikationsblatt ansehen →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Klasse | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | N-arylpiperazines Trifluoromethylbenzenes Benzamides Diaminotoluenes Thiazolecarboxamides 2-heteroaryl carboxamides Benzoyl derivatives Dialkylarylamines 2,5-disubstituted thiazoles Aminopyrimidines and derivatives N-alkylpiperazines 2-amino-1,3-thiazoles Imidolactams Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - N-arylpiperazine - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Diaminotoluene - 2-heteroaryl carboxamide - Benzoyl - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Toluene - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrimidine - 1,3-thiazol-2-amine - Imidolactam - Thiazole - Azole - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Alkanolamine - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organic oxygen compound - Organonitrogen compound - Amine - Alkyl halide - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| DMSO (mg/ml) Maximale Löslichkeit | 100 |
|---|---|
| DMSO (mM) Maximale Löslichkeit | 156.084160579384 |
| Wasser (mg/ml) Maximale Löslichkeit | ＜1 |
| Molekulargewicht | 640.700 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 9 |
| Exact Mass | 640.219 Da |
| Monoisotopic Mass | 640.219 Da |
| Topological Polar Surface Area | 164.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 991.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
