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In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.
ERK1/2 inhibitor 1 is a potent, orally bioavailable ERK1 / 2 inhibitor, showing 60% inhibition at 1 nM and an IC 50 of 3.0 nM against ERK1 and ERK2 , respectively
In Vitro
ERK1/2 inhibitor 1 (Compound 27) shows excellent antiproliferative potency with IC 50 s of 4.9 and 7.5 nM in A375 and Colo205 cells, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:ERK2 3.0 nM (IC 50 ) ERK1
Umfassendes Dokument zu Gefahren, Handhabung, Lagerung und Einhaltung regulatorischer Vorschriften.
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Spezifikationsblatt ansehen →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Klasse | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alanine and derivatives |
| Alternative Parents | Isoindolones Isoindoles Toluenes Secondary alkylarylamines Halopyrimidines Aminopyrimidines and derivatives Oxanes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alanine or derivatives - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Toluene - Secondary aliphatic/aromatic amine - Halopyrimidine - Aminopyrimidine - Benzenoid - Pyrimidine - Oxane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Löslichkeit | DMSO : 250 mg/mL (454.50 mM; Need ultrasonic) |
|---|---|
| Molekulargewicht | 550.000 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 549.214 Da |
| Monoisotopic Mass | 549.214 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 844.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
