Information
JSH-150 is a highly selective and potent inhibitor ofCDK9with IC50 of 1 nM.
Targets
CDK9 (Cell-free assay) 1 nM
In vitro
JSH-150 exhibits an IC50 of 1 nM against CDK9 kinase in the biochemical assay and achieves around 300-10000-fold selectivity over other CDK kinase family members. In addition, it also displays high selectivity over other 468 kinases/mutants. JSH-150 displays potent antiproliferative effects against melanoma, neuroblastoma, hepatoma, colon cancer, lung cancer as well as leukemia cell lines. It can dose-dependently inhibit the phosphorylation of RNA Pol II, suppress the expression of MCL-1 and C-Myc, arrest the cell cycle and induce the apoptosis in the leukemia cells.
In vivo
In the MV4-11 cell-inoculated xenograft mouse model, 10 mg/kg dosage of JSH-150 can almost completely suppress the tumor progression. The high selectivity and good in vivo PK/PD profile suggests that JSH-150 will be a good pharmacological tool to study CDK9-mediated physiology and pathology as well as a potential drug candidate for leukemia and other cancers.
Cell Research(from reference)
Cell lines：MV4-11, HL-60 and MEC-1 cells
Concentrations：serially diluted/various concentrations
Incubation Time：2 h
| ALogP | 3.162 |
|---|---|
| hba_count | 4 |
| HBD Count | 3 |
| Rotatable Bond | 10 |
| Pubchem Sid | 504773184 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773184 |
| Canonical Smiles | COCCNC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)Cl |
| IUPAC Name | 4-[[[4-[5-chloro-2-[[4-(2-methoxyethylamino)cyclohexyl]amino]pyridin-4-yl]-1,3-thiazol-2-yl]amino]methyl]oxane-4-carbonitrile |
| InChIKey | XSDZPPRQLIZLDG-UHFFFAOYSA-N |
| INCHI | 1S/C24H33ClN6O2S/c1-32-11-8-27-17-2-4-18(5-3-17)30-22-12-19(20(25)13-28-22)21-14-34-23(31-21)29-16-24(15-26)6-9-33-10-7-24/h12-14,17-18,27H,2-11,16H2,1H3,(H,28,30)(H,29,31) |
| Isomeric SMILES | COCCNC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)Cl |
| Molecular Weight | 505.08 |
| Reaxy-Rn | 33376101 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33376101&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 | Pyridines and derivatives |
| Subclass | Aminopyridines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyridines and derivatives |
| Alternative Parents | Secondary alkylarylamines Cyclohexylamines 2,4-disubstituted thiazoles Oxanes Imidolactams Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - Cyclohexylamine - Aminopyridine - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Imidolactam - Oxane - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiazole - Azole - Oxacycle - Azacycle - Secondary amine - Nitrile - Carbonitrile - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring. |
| 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 | Date | Item |
|---|---|---|---|
 F2511172 | Certificate of Analysis | Jul 02, 2025 | J414178 |
| G2213111 | Certificate of Analysis | Apr 07, 2025 | J414178 |
| G2213112 | Certificate of Analysis | Apr 07, 2025 | J414178 |
| G2213113 | Certificate of Analysis | Apr 07, 2025 | J414178 |
| Solubility | Solubility (25°C) In vitro DMSO: 100 mg/mL (197.98 mM); Water: 100 mg/mL (197.98 mM); Ethanol: 100 mg/mL (197.98 mM); |
|---|---|
| DMSO(mg / mL) Max Solubility | 100 |
| DMSO(mM) Max Solubility | 197.988437475251 |
| Water(mg / mL) Max Solubility | 100 |
| Water(mM) Max Solubility | 197.988437475251 |
| Molecular Weight | 505.100 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 10 |
| Exact Mass | 504.207 Da |
| Monoisotopic Mass | 504.207 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 667.000 |
| 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 |
