D3-βArr - ≥98% , CAS No.662164-09-2

CAS: 662164-09-2 Cat. No.: D412320 Peso molecular: 333.43

GRADE & PURITY ≥98%

Synonyms

NCGC00379308 | N-(1-Phenylethyl)-2-(1-piperazinyl)-4-quinazolinamine, N-(1-Phenylethyl)-2-(piperazin-1-yl)quinazolin-4-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

D3-βArr D3-βArr (NCGC00379308) is a positive allosteric modulator for thyrotropin receptor (TSHR). D3-βArr initiates translocation of β-Arr 1 by direct TSHR activation and potentiates TSH-mediated preosteoblast differentiation in vitro.

Specifications

Sinónimos

NCGC00379308 | N-(1-Phenylethyl)-2-(1-piperazinyl)-4-quinazolinamine, N-(1-Phenylethyl)-2-(piperazin-1-yl)quinazolin-4-amine

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

D3-βArr (NCGC00379308) is a positive allosteric modulator for thyrotropin receptor (TSHR). D3-βArr initiates translocation of β-Arr 1 by direct TSHR activation and potentiates TSH-mediated preosteoblast differentiation in vitro.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

MODULATOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCNCC4
• IUPAC Name: N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine
• InChIKey: LOGWGZNWEWFTJV-UHFFFAOYSA-N
• INCHI: 1S/C20H23N5/c1-15(16-7-3-2-4-8-16)22-19-17-9-5-6-10-18(17)23-20(24-19)25-13-11-21-12-14-25/h2-10,15,21H,11-14H2,1H3,(H,22,23,24)
• Isómeros SMILES: CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCNCC4
• Peso molecular: 333.43
• Reaxy-Rn: 11615167
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11615167&ln=

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: N-arylpiperazines
• Alternative Parents: Quinazolinamines Dialkylarylamines Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Quinazolinamine - Diazanaphthalene - Quinazoline - Dialkylarylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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PTPN22 Tchem Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (1215 Activities)

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MRC5 (9203 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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ACP1 Tchem Low molecular weight phosphotyrosine protein phosphatase (1161 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

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Objetivos asociados (no humanos)

Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Trpc4 Short transient receptor potential channel 4 (1615 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro Ethanol: mg/mL
• Sensibilidad: Moisture sensitive
• Peso molecular: 333.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 333.195 Da
• Monoisotopic Mass: 333.195 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1