≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Chk2 Inhibitor is an indoloazepine checkpoint kinase inhibitor that mediates apoptosis and cell cycle arrest. Checkpoint kinase 2 is activated upon DNA damage or genomic instability which eventually causes apoptosis. Mechanistic studies show that Chk2 inhibitor causes autophosphorylation of Chk2 at Thr68 and targets ATP binding pockets of Chk2. Further studies demonstrate that Chk2 inhibitors also inhibit Chk1 and MEK-1 and affect interleukin-2 (IL-2), TNF-α, MEK-1, and GSK-3β.
| Canonical Smiles | C1CNC(=O)C2=NC3=CC=CC=C3C2=C1C4=C(N=C(N4)N)O |
|---|---|
| IUPAC Name | 5-(2-amino-4-hydroxy-1H-imidazol-5-yl)-3,4-dihydro-2H-azepino[3,4-b]indol-1-one |
| InChIKey | RZEPRPGFGRQXDI-UHFFFAOYSA-N |
| INCHI | 1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20) |
| Isomeric SMILES | C1CNC(=O)C2=NC3=CC=CC=C3C2=C1C4=C(N=C(N4)N)O |
| Molecular Weight | 295.3 |
| Reaxy-Rn | 36266957 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36266957&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | 2,4,5-trisubstituted imidazoles Azepines Benzenoids Aminoimidazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Azepine - Aminoimidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Lactam - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Imine - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Solubility | Soluble in DMSO. |
|---|---|
| Molecular Weight | 295.300 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 295.107 Da |
| Monoisotopic Mass | 295.107 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 558.000 |
| 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 |
