ChemSpider 2D Image | PD123319 | C31H32N4O3

PD123319

  • Molecular FormulaC31H32N4O3
  • Average mass508.611 Da
  • Monoisotopic mass508.247437 Da
  • ChemSpider ID4470844

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6S)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
(6S)-1-[4-(Dimethylamino)-3-methylbenzyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-carbonsäure [German] [ACD/IUPAC Name]
(6S)-1-[4-(Dimethylamino)-3-methylbenzyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid [ACD/IUPAC Name]
(6S)-1-{[4-(dimethylamino)-3-methylphenyl]methyl}-5-(2,2-diphenylacetyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
(6S)-1-{[4-(dimethylamino)-3-methylphenyl]methyl}-5-(2,2-diphenylacetyl)-4H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
130663-39-7 [RN]
1H-Imidazo(4,5-c)pyridine-6-carboxylic acid, 1-((4-(dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-, (S)-
1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-, (6S)- [ACD/Index Name]
Acide (6S)-1-[4-(diméthylamino)-3-méthylbenzyl]-5-(2,2-diphénylacétyl)-4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylique [French] [ACD/IUPAC Name]
PD123319
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C15553 [DBID]
PD 123319 [DBID]
PD-123319 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An imidazopyridine consisting of 4,5,6,7-tetrahydro-1<element>H</element>-imidazo[4,5-<ital>c</ital>]pyridine having 4-(dimethylamino)-3-methylbenzyl, diphenylacetyl and carboxy and groups at position s 1, 5 and 6 respectively ChEBI CHEBI:61014
      An imidazopyridine consisting of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine having 4-(dimethylamino)-3-methylbenzyl, diphenylacetyl and carboxy and groups at positions 1, 5 and 6 respectively ChEBI CHEBI:61014

    • Bio Activity:

      Angiotensin Receptor MedChem Express HY-10259
      GPCR/G protein MedChem Express HY-10259
      GPCR/G protein; MedChem Express HY-10259
      PD 123319 is a potent, selective AT2 angiotensin II receptor antagonist with IC50 of 34 nM. MedChem Express
      PD 123319 is a potent, selective AT2 angiotensin II receptor antagonist with IC50 of 34 nM.; IC50 Value: 34 nM [1]; Target: AT2 angiotensin II receptor; in vitro: PD 123,319 (79), one of the most potent compounds, has an IC50 of 34 nM. MedChem Express HY-10259
      PD 123319 is a potent, selective AT2 angiotensin II receptor antagonist with IC50 of 34 nM.;IC50 Value: 34 nM [1];Target: AT2 angiotensin II receptor;In vitro: PD 123,319 (79), one of the most potent compounds, has an IC50 of 34 nM. [1]. In radioligand binding competition experiments, approximately 25% of the specific binding sites labeled by 125I-[Sar1]Ang II were inhibited by low concentrations of PD 123319 (0.1 to 10 nM), whereas the AT2 antagonist CGP 42112A was inactive at concentrations less than 0.1 microM [2].;In vivo: PD 123319 did not influence baseline CBF, but resulted in a minor BP decrease (10 control and 10 treated rats) [3]. Sixteen normal subjects aged 29.9+/-13.8 years (range 18-30 years) received an intravenous infusion of PD 123319 (10 mcg/minute for 5 minutes) and placebo, separated by one week. Haemodynamics (cardiac index, stroke index and systemic vascular resistance) were measured non-invasively using a BioZ.com thoracic impedance detection system. Blood MedChem Express HY-10259

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 775.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 423.0±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 149.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 7.88
ACD/KOC (pH 5.5): 26.98
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 4.88
Polar Surface Area: 79 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 414.7±7.0 cm3

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