PD123319 - Moligand™, ≥98% , Antagonist of AT 2 receptor, CAS No.130663-39-7, Antagonist of AT 2 receptor

CAS: 130663-39-7 Cat. No.: P129377 Peso molecular: 508.61

GRADE & PURITY Moligand™, ≥98%

Synonyms

A13201 | PD123319 | PD-123319 | (6S)-1-[(4-dimethylamino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carboxylic acid | BDBM50282396 | (6s)1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-t

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

product description：

PD 123319 (ditrifluoroacetate) is a potent, selective AT2 angiotensin II receptor antagonist with IC50 of 34 nM.

Specifications

Sinónimos

A13201 | PD123319 | PD-123319 | (6S)-1-[(4-dimethylamino-3-methylphenyl)methyl]-5-[2, 2-di(phenyl)acetyl]-6, 7-dihydro-4H-imidazo[5, 4-d]pyridine-6-carboxylic acid | BDBM50282396 | (6s)1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4, 5, 6, 7-t

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

PD 123319 is shown to discriminate between two subclasses of AII receptors in many different tissues. 125I-AII specifically label two classes of binding sites for AII in a membrane preparation of bovine adrenal glomerulosa cells. The first class (DuP-753

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.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of AT 2 receptor

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763550
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763550
• Sonrisas canónicas: CC1=C(C=CC(=C1)CN2C=NC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N(C)C
• IUPAC Name: (6S)-1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• InChIKey: YSTVFDAKLDMYCR-NDEPHWFRSA-N
• INCHI: 1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1
• Isómeros SMILES: CC1=C(C=CC(=C1)CN2C=NC3=C2C[C@H](N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N(C)C
• Peso molecular: 508.61
• Reaxy-Rn: 8171418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8171418&ln=

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: N-acyl-L-alpha-amino acids Phenylacetamides Imidazopiperidines Imidazopyridines Aminotoluenes Aniline and substituted anilines Dialkylarylamines N-substituted imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - N-acyl-l-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Imidazopiperidine - Imidazopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Toluene - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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: imidazopyridine

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)

AGTR1 Tclin Type-1 angiotensin II receptor (1 Activities)

Discover Target: AGTR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AGTR2 Tchem Type-2 angiotensin II receptor (0 Activities)

Discover Target: AGTR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: DMSO 100 mg/mL Water 100 mg/mL Ethanol 100 mg/mL
• Peso molecular: 508.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 508.247 Da
• Monoisotopic Mass: 508.247 Da
• Topological Polar Surface Area: 78.700 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 791.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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