GR 103691 - ≥98% , CAS No.162408-66-4

CAS: 162408-66-4 Cat. No.: G344395 Formula: C₃₀H₃₅N₃O₃ Peso molecolare: 485.62

GRADE & PURITY ≥98%

Synonyms

SR-01000597384 | 4'-Acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-[1,1'-biphenyl]-4-carboxamide | Biomol-NT_000041 | SCHEMBL1156684 | BRD-K50891186-001-01-0 | 4'-acetyl-n-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-[1,1'-biphenyl]-4-carboxamide |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

GR 103691 is an effective and selective receptor antagonist of the D3DR (dopamine D|3|receptor). GR 103691 was shown to have higher selectivity for D3DR (dopamine D|3|receptor) over the D2DR (dopamine D|2|receptor) and D4DR (dopamine D|4|receptor) sites by greater than 100-fold.

Specifications

Sinonimi

SR-01000597384 | 4'-Acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-[1,1'-biphenyl]-4-carboxamide | Biomol-NT_000041 | SCHEMBL1156684 | BRD-K50891186-001-01-0 | 4'-acetyl-n-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-[1,1'-biphenyl]-4-carboxamide |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Purezza

≥98%

Proprietà del prodotto

pKa

pKa: 7.87

Dati Ki

D3DR: Ki= 0.32 nM (human)

Nomi e identificatori

Pubchem Sid

504762951

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762951

Sorrisi canonici

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC

IUPAC Name

4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

InChIKey

JARNORYOPMINDY-UHFFFAOYSA-N

INCHI

1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)

Isomeri SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC

WGK Germania

3

Peso molecolare

485.62

Reaxy-Rn

8367224

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8367224&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Biphenyls and derivatives N-arylpiperazines Phenylpiperazines Aminophenyl ethers Benzamides Methoxyanilines Acetophenones Methoxybenzenes Aryl alkyl ketones Dialkylarylamines Benzoyl derivatives Anisoles Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Biphenyl - Phenylpiperazine - N-arylpiperazine - Acetophenone - Benzamide - Benzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Anisole - Aniline or substituted anilines - Dialkylarylamine - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Tertiary aliphatic/aromatic amine - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (>5 mg/ml at 60° C).
• Indice di rifrazione: n20D1.58 (Predicted)
• Punto di ebollizione (°C): ~688.72° C at 760 mmHg (Predicted)
• Punto di fusione (°C): ~294.22° C (Predicted)
• Peso molecolare: 485.600 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 485.268 Da
• Monoisotopic Mass: 485.268 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 677.000
• 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

Domande frequenti

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 162408-66-4, the molecular formula is C30H35N3O3, and the molecular weight is 485.62 g/mol. InChIKey JARNORYOPMINDY-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.