PD123319 - Moligand™, 10mM in DMSO , Antagonist of AT 2 receptor, CAS No.130663-39-7, Antagonist of AT 2 receptor

CAS: 130663-39-7 Cat. No.: P421190 Molecular Weight: 508.61

GRADE & PURITY Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

product description：

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

Specifications

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

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Description:
IC50 Value:  1.2 ±0.4 mM (Inhibition of adenylyl cyclase elicited by 0.1 microM Ang II) [2]
PD 123319 is a potent, selective, non-peptide angiotensin AT2 receptor antagonist. IC50 values are 34 and 210 n

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of AT 2 receptor

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Molecular Weight: 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