CAS 729605-21-4|XRP44X
Introduction：Basic information about CAS 729605-21-4|XRP44X, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | XRP44X | ||
|---|---|---|---|
| CAS Number | 729605-21-4 | Molecular Weight | 380.871 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 591.1±50.0 °C at 760 mmHg |
| Molecular Formula | C21H21ClN4O | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 311.3±30.1 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone |
|---|---|
| Synonym | More Synonyms |
XRP44X BiologicalActivity
| Description | XRP44X inhibits Ras-induced transcription activation with the IC50 of 10 nM. XRP44X inhibits activation of the Ras-Erk-1/2 pathway by FGF-2[1]. XRP44X is an inhibitor of Ras/Erk activation of Elk3 that also affects microtubules[2]. |
|---|---|
| Related Catalog | Research Areas >>CancerResearch Areas >>Inflammation/ImmunologySignaling Pathways >>GPCR/G Protein >>Ras |
| Target | Ras:10 nM (IC50) |
| In Vitro | XRP44X is an indirect inhibitor of Net phosphorylation that acts upstream from Erk-1/2 activation. XRP44X inhibits luciferase activity with the IC50 of∼10 nM[1]. XRP44X (10 nM) inhibits cell growth of HUVEC, NIH3T3, HCT-116, and NIH3T3–Ki-Ras cells[1]. XRP44X (100 nM) inhibits phosphorylation of Mek-1/2 and Raf-1[1]. Cell Proliferation Assay[1] Cell Line: HUVEC, NIH3T3, HCT-116, and NIH3T3-Ki-Ras cells Concentration: 10 nM Incubation Time: 24, 48, 72, 96 hours Result: Inhibited HUVEC, HCT 116,NIH3T3, and NIH3T3-RAS cells proliferation with IC50s of 2.2±0.5 nM, 2.3±0.5 nM, 4±0.5 nM, and 2.3±0.5 nM, respectively. Inhibited the growth of immortalized mouse fibroblasts. Western Blot Analysis[1] Cell Line: HUVEC cells Concentration: 100 nM Incubation Time: Pretreated for 90 minutes Result: Inhibited phosphorylation of Rsk-1. Inhibited phosphorylation of Erk-1/2 on sites required for its activation without affecting overall levels of Erk-1/2. |
| In Vivo | XRP44X may have therapeutic potential for refractory asthma[1]. XRP44X, an inhibitor of Ras/Erk activation of the transcription factor Elk3, inhibits tumor growth and metastasis in mice. XRP44X inhibits tumor growth and metastasis in nude mice. XRP44X decreases the growth of tumours and the formation of metastases in nude mice[2]. Animal Model: Male nude mice (BALB/c nu/nu)[2] Dosage: 1 mg/kg Administration: Intraperitoneal injection; treated daily for 6 days Result: Inhibited cell tumor formation by xenografts in nude mice. |
| References | [1]. Christine Wasylyk, et al. Inhibition of the Ras-Net (Elk-3) pathway by a novel pyrazole that affects microtubules. Cancer Res. 2008 Mar 1;68(5):1275-83. [2]. Kostyantyn Semenchenko, et al. XRP44X, an Inhibitor of Ras/Erk Activation of the Transcription Factor Elk3, Inhibits Tumour Growth and Metastasis in Mice. PLoS One. 2016 Jul 18;11(7):e0159531. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 591.1±50.0 °C at 760 mmHg |
| Molecular Formula | C21H21ClN4O |
| Molecular Weight | 380.871 |
| Flash Point | 311.3±30.1 °C |
| Exact Mass | 380.140381 |
| PSA | 41.37000 |
| LogP | 2.75 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.651 |
| InChIKey | NPHPNBGYPKBDDB-UHFFFAOYSA-N |
| SMILES | Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1 |
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 |
| Precautionary Statements | P301 + P310 |
| RIDADR | UN 2811 6.1 / PGIII |
Synonyms
| [4-(3-Chlorophenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone |
| Methanone, [4-(3-chlorophenyl)-1-piperazinyl](3-methyl-1-phenyl-1H-pyrazol-5-yl)- |
| [4-(3-Chlorophenyl)-1-piperazinyl](3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone |
| xrp44x |
