XRP44X - ≥98% , CAS No.729605-21-4

CAS: 729605-21-4 Cat. No.: X342763 Summenformel: C₂₁H₂₁ClN₄O Molekulargewicht: 380.88 EG-Nummer: 684-708-0 PubChem CID: 10339779

GRADE & PURITY ≥98%

Synonyms

Ras-Net (Elk-3) Pathway Inhibitor | Actin Assembly Inhibitor XVI | Ras Activation Inhibitor | Tubulin Polymerization Inhibitor IX | 1-(3-Chlorophenyl)-4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)carbonyl)piperazine

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

XRP44X is a Ras-Net (Elk-3) pathway inhibitor (IC|50|= 10-20 nM). Indirectly inhibits Net phosphorylation upstream of Erk1/2 activation. Mediates G2-M cell cycle arrest. Suppresses growth of multiple cell types (IC|50|~ 2 nM). XRP44X inhibits angiogenesis and acts as a microtubule depolymerizing agent by binding to the colchicine-binding site of Tubulin|in vitro|. XRP44X is an inhibitor of Tubulin.

Specifications

Synonyme

Ras-Net (Elk-3) Pathway Inhibitor | Actin Assembly Inhibitor XVI | Ras Activation Inhibitor | Tubulin Polymerization Inhibitor IX | 1-(3-Chlorophenyl)-4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)carbonyl)piperazine

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528768509
• Kanonisches Lächeln: CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
• IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
• InChIKey: NPHPNBGYPKBDDB-UHFFFAOYSA-N
• INCHI: 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
• Isomere SMILES: CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
• WGK Deutschland: 3
• PubChem CID: 10339779
• Molekulargewicht: 380.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Phenylpyrazoles Pyrazole-5-carboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Phenylpyrazole - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrazole-5-carboxamide - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrazole - Azole - Carboxamide group - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO (100 mM), and ethanol (50 mM).
• Brechungsindex: n20D1.65 (Predicted)
• Siedepunkt (°C): ~591.1° C at 760 mmHg (Predicted)
• Molekulargewicht: 380.900 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 380.14 Da
• Monoisotopic Mass: 380.14 Da
• Topological Polar Surface Area: 41.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 504.000
• 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