ChemicalBook--->CAS DataBase List--->136676-91-0

136676-91-0

136676-91-0 Structure

136676-91-0 Structure
IdentificationBack Directory
[Name]

S-(+)-1-[(4-(Dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrate di(trifluoroacetate) salt
[CAS]

136676-91-0
[Synonyms]

PD 123319 bis(trifluoroacetate)
PD 123319 (trifluoroacetate salt)
PD123319; PD-123319; S-+-PD 123319
PD 123319 DITRIFLUOROACETATE, CID: 6604951
PD 123,319 di(trifluoroacetate) salt hydrate
PD 123,319 hydrate di(trifluoroacetate) salt
PD 123,319 di(trifluoroacetate) salt hydrate powder, >=98% (HPLC)
(S)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid bis(trifluoroacetate)
S-(+)-1-[(4-(Dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid di(trifluoroacetate) salt hydrate
S-(+)-1-[(4-(Dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrate di(trifluoroacetate) salt
[Molecular Formula]

C31H32N4O32C2HF3O2
[MDL Number]

MFCD11046022
[MOL File]

136676-91-0.mol
[Molecular Weight]

622.65
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[solubility ]

H2O: soluble10mg/mL, clear
[form ]

powder
[color ]

White to yellow
[Water Solubility ]

Soluble to 100 mM in water
[InChIKey]

PTSUEYBWHKDYBS-FPCIESGBSA-N
[SMILES]

O.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c4ccccc4)c5ccccc5)cc1C
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

PD123,319 di (trifluoroacetate) salt hydrate has been used in following experimental studies:
  • To determine the effect of Angiotensin II (Ang II) on alveolar fluid clearance (AFC).
  • To study the effect of PD123319 on AngII-induced abdominal aortic aneurysms (AAAs).
  • To study its effect on Ang II-induced LRP1 overexpression and function in vascular smooth muscle cells (VSMCs) culture.
[Biological Activity]

PD 123319 ditrifluoroacetate is a potent and selective AT2 angiotensin II receptor antagonist with IC50 of 34 nM.
[in vitro]

PD 123319 is shown to discriminate between two subclasses of AII receptors in many different tissues. 125 I-AII specifically label two classes of binding sites for AII in a membrane preparation of bovine adrenal glomerulosa cells. The first class (DuP-753 sensitive) represents approximately 85% of the total binding sites for AII and possesses a high affinity (IC 50 of 92.9 nM) for DuP-753. PD-123319 does not have any effect on 125 I-AII binding to this site. The second class of binding sites is more sensitive to PD-123319, with an IC 50 of 6.9 nM , and has a much lower affinity for DuP-753 (IC 50 around 10 microM).

[target]

IC50: 34 nM (AT2 Receptor)

[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

S-(+)-1-[(4-(Dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrate di(trifluoroacetate) salt(136676-91-0)1HNMR
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