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
BS-181 HCl is a highly selectiveCDK7inhibitor withIC50of 21 nM. It is more than 40-fold selective for CDK7 than CDK1, 2, 4, 5, 6, or 9.
In vitro
BS-181 is a small molecule inhibitor of CDK7 in a cell-free environment, which displays more potential activity than roscovitine with IC 50 of 510 nM. Among the CDKs and other 69 kinases from many different classes, BS-181 shows high inhibitory selectivity for CDK7, inhibits CDK2 at concentrations lower than 1 μM which being inhibited 35-fold less potently (IC50 with 880 nM) than CDK7, shows slight inhibition for CDK1, CDK4, CDK5, CDK6 and CDK9 with IC50 values higher than 3.0 μM, and only shows inhibition for several kinases from other classes at high concentrations (>10 μM). BS-181 promotes cell cycle arrest and inhibits the cancer cell growth of a range of tumor types, including breast, lung, prostate and colorectal cancer with IC50 in the range of 11.5-37 μM. In MCF-7 cells, BS-181 inhibits the phosphorylation of the CDK7 substrate RNA polymerase II COOH-terminal domain (CTD), and promotes cell cycle arrest and apoptosis to inhibit the growth of cancer cell lines.
In vivo
BS-181 is stable in vivo with a plasma elimination half-life in mice of 405 minutes after i.p. administration of 10 mg/kg. BS-181 inhibits the growth of MCF-7 xenografts in the nude mice model in a dose-dependent manner, with 25% and 50% reduction in tumor growth after 2 weeks of treatment at 10 mg/kg/day and 20 mg/kg/day, respectively without apparent toxicity.
Cell Data
cell lines：
Concentrations：Dissolved in DMSO, final concentration ~50 μM
Incubation Time：24 hours
Powder Purity:≥99%
| ALogP | 4.684 |
|---|---|
| hba_count | 2 |
| Recuento HBD | 3 |
| Enlace rotable | 11 |
| Isómeros SMILES | CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN.Cl |
|---|---|
| CAS alternativo | 1092443-52-1(free base) |
| Peso molecular | 416.99 |
| Reaxy-Rn | 26177980 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26177980&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Solubilidad | Solubility (25°C) In vitro DMSO: 63 mg/mL (199.49 mM); Water: 63 mg/mL (199.49 mM); Ethanol: 1 mg/mL (3.16 mM); |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 83 |
| DMSO (mM) Solubilidad máxima | 199.0455407 |
| Agua (mg/ml) Solubilidad máxima | 3 |
| Agua (mM) Solubilidad máxima | 7.194417132 |
