Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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.
DNA-PK Inhibitor III is a cell-permeable aryl-morpholino compound that is potent, selective, and an ATP-competitive inhibitor of DNA-PK (IC|50|= 120 nM) and PI 3-Kinase catalytic subunit p110β (IC|50|= 135 nM). Inhibits DNA-PK-mediated cellular DNA DSB (double strand break) repair (EC|50|= 68 μM) and enhances DSB-induced antitumor activity|in vitro|, while exhibiting no cytotoxic effects (up to 50 μM) in the absence of DSBs. Also inhibits PI 3K p110α, p110γ, and p110δ only at much higher concentrations (IC50= 1.4 μM, 880 nM, and 1.0 μM, respectively) and exhibits no effect against a panel of several other kinases, including, Cdk2, Src, PKA, PKC, Chk1, CK1, ATM, and FKBP12, even at concentrations as high as 100 μM.
| pKa | pKₐ: 10.47 (Predicted), pKₐ: 1.95 (Predicted) |
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| Pubchem Sid | 504764995 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764995 |
| Sonrisas canónicas | CC(=O)C1=C(C=C(C=C1)N2CCOCC2)O |
| IUPAC Name | 1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone |
| InChIKey | YHKSBKQXCWHTQL-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3 |
| Isómeros SMILES | CC(=O)C1=C(C=C(C=C1)N2CCOCC2)O |
| WGK Alemania | 3 |
| Peso molecular | 221.26 |
| Reaxy-Rn | 9912673 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9912673&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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylmorpholines Acetophenones m-Aminophenols Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylmorpholine - Acetophenone - M-aminophenol - Aminophenol - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Vinylogous acid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Aug 15, 2025 | D337628 | |
| Certificate of Analysis | Aug 15, 2025 | D337628 | |
| Certificate of Analysis | Aug 15, 2025 | D337628 | |
| Certificate of Analysis | Aug 29, 2022 | D337628 |
| Solubilidad | Soluble in DMSO (5 mg/ml). |
|---|---|
| Sensibilidad | Light sensitive |
| Índice de refracción | n20D1.57 (Predicted) |
| Punto de ebullición (°C) | 425.49° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 98-100.3° C |
| Peso molecular | 221.250 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 221.105 Da |
| Monoisotopic Mass | 221.105 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 |
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