TLX agonist 1 - ≥98% , CAS No.958323-31-4

CAS: 958323-31-4 Cat. No.: T412441 Fórmula: C₂₃H₂₆N₄O Peso molecular: 374.5 PubChem CID: 2738508

GRADE & PURITY ≥98%

Synonyms

CCRP2 | SUN23314

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

TLX agonist 1 (CCRP2, SUN23314) is a modulator oforphan nuclear receptor tailless (TLX, NR2E1)with EC50 of 1.0 μM and Kd of 650 nM. TLX agonist 1 (CCRP2, SUN23314) binds to recombinant TLX protein and enhances TLX transcriptional repressive activity.

Specifications

Sinónimos

CCRP2 | SUN23314

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504761399

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761399

Sonrisas canónicas

CC1=CC(=NN1C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

IUPAC Name

(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

InChIKey

SSGJAUSSGPIZEE-UHFFFAOYSA-N

INCHI

1S/C23H26N4O/c1-18-17-21(24-25(18)2)23(28)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3

Isómeros SMILES

CC1=CC(=NN1C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

PubChem CID

2738508

Peso molecular

374.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Pyrazole-5-carboxamides 2-heteroaryl carboxamides N-alkylpiperazines Aralkylamines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Azole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)

NR2E1 Tbio Nuclear receptor subfamily 2 group E member 1 (116 Activities)

Discover Target: NR2E1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 374.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 374.211 Da
• Monoisotopic Mass: 374.211 Da
• Topological Polar Surface Area: 41.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 489.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 958323-31-4, the molecular formula is C23H26N4O, and the molecular weight is 374.5 g/mol. InChIKey SSGJAUSSGPIZEE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.