L-745870 trihydrochloride - ≥98% , CAS No.866021-03-6

CAS: 866021-03-6 Cat. No.: L275428 Peso molecular: 436.21 PubChem CID: 49759035

GRADE & PURITY ≥98%

Synonyms

SR-01000075388-3 | 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;trihydrochloride | L-745870 (trihydrochloride) | 3-((4-(4-Chlorophenyl)-1-piperazinyl)methyl)-1H-pyrrolo(2,3-b)pyridine trihydrochloride | 3-((4-(4-chlorophenyl)pipe

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

SR-01000075388-3 | 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2, 3-b]pyridine;trihydrochloride | L-745870 (trihydrochloride) | 3-((4-(4-Chlorophenyl)-1-piperazinyl)methyl)-1H-pyrrolo(2, 3-b)pyridine trihydrochloride | 3-((4-(4-chlorophenyl)pipe

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Highly potent and selective D 4 antagonist (K i values are 0.43, 2300 and 960 nM at D 4 , D 3 and D 2 , respectively). Brain permeable. Inhibits cell death and shows neuroprotective effects.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770903
• Sonrisas canónicas: C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl.Cl.Cl.Cl
• IUPAC Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;trihydrochloride
• InChIKey: KJSOYZLYCFYXFC-UHFFFAOYSA-N
• INCHI: 1S/C18H19ClN4.3ClH/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18;;;/h1-7,12H,8-11,13H2,(H,20,21);3*1H
• Isómeros SMILES: C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl.Cl.Cl.Cl
• PubChem CID: 49759035
• Peso molecular: 436.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Pyrrolopyridines Aniline and substituted anilines Dialkylarylamines Aralkylamines Chlorobenzenes N-alkylpiperazines Substituted pyrroles Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives Hydrochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Pyrrolopyridine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 100 mM
• Peso molecular: 436.200 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 436.057 Da
• Monoisotopic Mass: 434.06 Da
• Topological Polar Surface Area: 35.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 377.000
• 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: 4

XLogP3