CAS 1073485-20-7|LDC000067
Introduction：Basic information about CAS 1073485-20-7|LDC000067, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | LDC000067 | ||
|---|---|---|---|
| CAS Number | 1073485-20-7 | Molecular Weight | 370.426 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 604.1±65.0 °C at 760 mmHg |
| Molecular Formula | C18H18N4O3S | Melting Point | / |
| MSDS | / | Flash Point | 319.2±34.3 °C |
Names
| Name | (3-(6-(2-Methoxyphenyl)pyrimidin-4-ylamino)phenyl)methanesulfonamide |
|---|---|
| Synonym | More Synonyms |
LDC000067 BiologicalActivity
| Description | LDC000067 is a highly specific CDK9 inhibitor with an IC50 value of 44±10 nM in vitro. |
|---|---|
| Related Catalog | Research Areas >>Cancer |
| Target | CDK9- Cyclin T1:44 nM (IC50) cdk2-cyclin A:2441 nM (IC50) cdk1-cyclin B1:5513 nM (IC50) cdk4-cyclin D1:9242 nM (IC50) GSK3A:1460 nM (IC50) HGK/MAP4K4:820 nM (IC50) ABL2/ARG:3640 nM (IC50) |
| In Vitro | The selectivity of LDC000067 for CDK9 over other CDKs exceeds that of the known inhibitors flavopiridol and DRB. LDC000067 displayed 55/125/210/ >227/ >227-fold selectivity for CDK9 versus CDK2/1/4/6/7. LDC000067 inhibits in vitro transcription in an ATP-competitive and dose-dependent manner. Gene expression profiling of cells treated with LDC000067 demonstrates a selective reduction of short-lived mRNAs, including important regulators of proliferation and apoptosis[1]. |
| Kinase Assay | The fluorescence resonance energy transfer (FRET)-based LANCE Ultra KinaSelect Ser/Thr kit is used to determine IC50 values for various CDK inhibitors. Briefly, a specific ULight MBP peptide substrate (50 nM final concentration) is phosphorylated by a CDK-cyclin pair in buffer (50 mM HEPES-KOH pH 7.5, 10 mM MgCl2, 1 mM EGTA, 2 mM dithiothreitol) containing ATP at the concentration of the Km values of the individual kinases for 1 h at room temperature. Subsequently, phosphorylation is detected by addition of specific Eu-labelled anti-phospho-antibodies (2 nM), which upon binding to the phosphopeptide give rise to a FRET signal. FRET signals are then recorded[1]. |
| References | [1]. Albert TK, et al. Characterization of molecular and cellular functions of the cyclin-dependent kinase CDK9 using a novel specific inhibitor. Br J Pharmacol. 2014 Jan;171(1):55-68. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 604.1±65.0 °C at 760 mmHg |
| Molecular Formula | C18H18N4O3S |
| Molecular Weight | 370.426 |
| Flash Point | 319.2±34.3 °C |
| Exact Mass | 370.109955 |
| PSA | 115.58000 |
| LogP | 2.11 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.646 |
| InChIKey | GGQCIOOSELPMBB-UHFFFAOYSA-N |
| SMILES | COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1 |
| Storage condition | -20℃ |
Synonyms
| Benzenemethanesulfonamide, 3-[[6-(2-methoxyphenyl)-4-pyrimidinyl]amino]- |
| 1-(3-{[6-(2-Methoxyphenyl)-4-pyrimidinyl]amino}phenyl)methanesulfonamide |
| LDC000067 |
