≥99% 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.
CDK8-IN-1 is a potent and selective CDK8 inhibitor with an IC 50 of 3 nM.
In Vivo
CDK8-IN-1 displays low systemic clearance, very good exposure and oral bioavailability. The t max is 0.25 h by PO. The mean values of C max are 9940 μg/L, 12740 μg/L by IV and PO respectively. The values of AUC are 9378, 25952 by IV and PO respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:CDK8 3 nM (IC 50 )
| カノニカル・スマイル | C1=CN=CC=C1C2=CNC(=C2C(F)(F)F)C(=O)N |
|---|---|
| IUPAC Name | 4-pyridin-4-yl-3-(trifluoromethyl)-1H-pyrrole-2-carboxamide |
| InChIKey | RKTPHHQXNCHBCF-UHFFFAOYSA-N |
| INCHI | 1S/C11H8F3N3O/c12-11(13,14)8-7(5-17-9(8)10(15)18)6-1-3-16-4-2-6/h1-5,17H,(H2,15,18) |
| 異性体SMILES | C1=CN=CC=C1C2=CNC(=C2C(F)(F)F)C(=O)N |
| PubChem CID | 86274989 |
| 分子量 | 255.20 |
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 acids and derivatives |
| 分類 | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Pyrrole carboxamides Substituted pyrroles Pyridines and derivatives Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| 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 |
|---|
| 溶解度 | DMSO : 100 mg/mL (391.85 mM; Need ultrasonic) |
|---|---|
| 分子量 | 255.200 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 255.062 Da |
| Monoisotopic Mass | 255.062 Da |
| Topological Polar Surface Area | 71.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| 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 |
