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XRP44X structure, CAS 729605-21-4

XRP44X

CAS Number729605-21-4

Synonyms[4-(3-Chlorophenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone; [4-(3-Chlorophenyl)-1-piperazinyl](3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone; xrp44x

Molecular FormulaC21H21ClN4O

Molecular Weight380.871

Purity

Density1.3±0.1 g/cm3

Boiling Point591.1±50.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Cat. No.: 2A-1173976 Purity:
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Quality Control of [ 729605-21-4 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number729605-21-4
Catalog No.2A-1173976
Chinese Name[4-(3-氯苯基)哌嗪-1-基](5-甲基-2-苯基-2H-吡唑-3-基)甲酮
Synonyms[4-(3-Chlorophenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone; [4-(3-Chlorophenyl)-1-piperazinyl](3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone; xrp44x
Molecular FormulaC21H21ClN4O
Molecular Weight380.871
Density1.3±0.1 g/cm3
Boiling Point591.1±50.0 °C at 760 mmHg
Storage ConditionRoom temperature, dry and sealed
ApplicationXRP44X inhibits Ras-induced transcriptional activation with an IC50 of 10 nM. XRP44X inhibits the activation of the Ras-Erk-1/2 pathway through FGF-2 [1]. XRP44X is an inhibitor of Ras/Erk activation
SMILESCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C21H21ClN4O/c1-16-14-20(26(23-16)18-7-3-2-4-8-18)21(27)25-12-10-24(11-13-25)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3
InChI KeyNPHPNBGYPKBDDB-UHFFFAOYSA-N
Hazard Symbolstransportation
BioactivityXRP44X 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 >> Cancer Research Areas >> Inflammation/Immunology Signaling 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
Use ofProperties Name [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone Synonym More Synonyms XRP44X Biological Activity Related Catalog Research Areas >> Cancer Research Areas >> Inflammation/Immunology Signaling Pathways >> GPCR/G Protein >> Ras Ras:10 nM (IC50) 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 Exact Mass 380.140381 PSA 41.37000 Index of Refraction 1.651 InChIKey NPHPNBGYPKBDDB-UHFFFAOYSA-N
Transport InfoProduct name: Purity: 99.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Danger Regulation: TOXIC SOLID, ORGANIC, N.O.S. (XRP44X) International Maritime Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (XRP44X) International air transport hazard regulations: Toxic solid, organic, n.o.s. (XRP44X) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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