10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
XMD16-5 XMD16-5 is a novel tyrosine kinase nonreceptor 2(TNK2) inhibitor with IC50s of 16 nmol/L and 77 nmol/L for the D163E and R806Q mutations.
Targets
TNK2
In vitro
XMD16-5 is found to be potent in the inhibition of TNK2 phosphorylation. XMD8-87 and XMD16-5 potently inhibit phosphorylation of TNK2 truncation mutations found in solid tumor types.
Cell Research(from reference)
Cell lines：293T cells
Concentrations：10 nM-5 μM
Incubation Time：6 h
| ALogP | 2.967 |
|---|---|
| Contagem HBD | 3 |
| Ligação rotativa | 3 |
| Pubchem Sid | 528768503 |
|---|---|
| Sorrisos canónicos | CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O |
| IUPAC Name | 2-[4-(4-hydroxypiperidin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
| InChIKey | AGLKBEPKKDHHKY-UHFFFAOYSA-N |
| INCHI | 1S/C23H24N6O2/c1-28-20-5-3-2-4-18(20)22(31)26-19-14-24-23(27-21(19)28)25-15-6-8-16(9-7-15)29-12-10-17(30)11-13-29/h2-9,14,17,30H,10-13H2,1H3,(H,26,31)(H,24,25,27) |
| SMILES isoméricas | CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O |
| PubChem CID | 57340666 |
| Peso molecular | 416.48 |
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 |
| Classe | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Alkyldiarylamines 1,4-benzodiazepines Pyrimidodiazepines Aniline and substituted anilines Dialkylarylamines 1,4-diazepines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Vinylogous amides Secondary alcohols Amino acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperidine - Alkyldiarylamine - Benzodiazepine - 1,4-benzodiazepine - Pyrimidodiazepine - Aniline or substituted anilines - Dialkylarylamine - Para-diazepine - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Secondary amine - Organonitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| DMSO (mg/mL) Solubilidade máxima | 83 |
|---|---|
| DMSO (mM) Solubilidade máxima | 199.2892816 |
| Água (mg/mL) Solubilidade máxima | ＜1 |
| Peso molecular | 416.500 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 416.196 Da |
| Monoisotopic Mass | 416.196 Da |
| Topological Polar Surface Area | 93.600 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 619.000 |
| 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 |
