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ChemicalBook--->CAS DataBase List--->130663-39-7

130663-39-7

130663-39-7 Structure

130663-39-7 Structure
IdentificationBack Directory
[Name]

PD 123,319 DITRIFLUOROACETATE
[CAS]

130663-39-7
[Synonyms]

CS-953
PD 123,319
PD123319 TFA
PD123319, >=98%
(S)-(+)-PD 123319
PD-123319 TFA salt
ditrifluoroacetate
PD-123319 free base
PD 123319 ditrifluor
PD 123,319 DITRIFLUOROACETATE
pd 123,319 di(trifluoroacetate) salt
PD 123319 ditrifluoroacetate USP/EP/BP
PD 123,319 DITRIFLUOROACETATE POTENT AND SELECTIVE
1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4.5-c]pyridine-6-carboxyli
(6S)-1-[4-Dimethylamino-3-methylbenzyl]-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6α-carboxylic acid
(6S)-1-[4-(Dimethylamino)-3-methylbenzyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
(3S)-9-[(4-DIMETHYLAMINO-3-METHYL-PHENYL)METHYL]-4-(2,2-DIPHENYLACETYL)-4,7,9-TRIAZABICYCLO[4.3.0]NONA-7,10-DIENE-3-CARBOXYLIC ACID
(6S)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6α-carboxylic acid
1H-Imidazo(4,5-C)pyridine-6-carboxylic acid, 1-((4-(dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-, (S)-
(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
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)-
1-[[4-(DIMETHYLAMINO)-3-METHYLPHENYL]METHYL]-5-(DIPHENYLACETYL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DITRIFLUOROACETATE
S(+)-1-[[4-(DIMETHYLAMINO)-3-METHYLPHENYL]METHYL]-5-(DIPHENYLACETYL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZOL[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DITRIFLUOROACETATE
s-(+)-1-[(4-(dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid ditrifluoroacetate
[Molecular Formula]

C35H36F6N4O7
[MDL Number]

MFCD00274066
[MOL File]

130663-39-7.mol
[Molecular Weight]

738.67
Chemical PropertiesBack Directory
[Boiling point ]

775.8±60.0 °C(Predicted)
[density ]

1.22±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

H2O: 12 mg/mL
[form ]

powder
[pka]

2.80±0.20(Predicted)
[Water Solubility ]

Soluble to 100 mM in water
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

PD 123319 is a selective non-peptide angiotensin AT2 receptor antagonist.
[Definition]

ChEBI: 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
[Biological Activity]

Potent, selective, non-peptide angiotensin AT 2 receptor antagonist. IC 50 values are 34 and 210 nM in rat adrenal tissue and brain respectively.
[Enzyme inhibitor]

This potent non-peptide receptor antagonist (FW = 508.61 g/mol; CAS 130663-39-7), also named 1-[[4- (dimethylamino) -3-methylphenyl]methyl]- 5- (2,2-diphenylacetyl) -4,5,6,7-tetrahydro- (6S) -1H-imidazo[4,5-c]pyridine- 6-carboxylate, selectively targets AT2 angiotensin II receptor (IC50 = 34 nM). This class of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6- carboxylic acid derivatives displace 125I-labeled angiotensin II from a specific subset of angiotensin II (Ang II) binding sites (that are different from those mediating vascular contraction or aldosterone release) that are likely to have novel properties. PD-123319 and another nonpeptide antagonist (DuP-753) discriminate between two subclasses of All receptors in many different tissues. PD 123319 does not influence baseline cerebral blood flow, with minor drop in blood pressure.
[IC 50]

AT2 Receptor
[storage]

Store at -20°C
[References]

[1] blankley c j, hodges j c, klutchko s r, et al. synthesis and structure-activity relationships of a novel series of non-peptide angiotensin ii receptor binding inhibitors specific for the at2 subtype. journal of medicinal chemistry, 1991, 34(11): 3248-3260.
[2] boulay g, servant g, luong t t, et al. modulation of angiotensin ii binding affinity by allosteric interaction of polyvinyl sulfate with an intracellular domain of the dup-753-sensitive angiotensin ii receptor of bovine adrenal glomerulosa. molecular pharmacology, 1992, 41(4): 809-815.
[3] siragy h. angiotensin ii receptor blockers: review of the binding characteristics. the american journal of cardiology, 1999, 84(10): 3-8.
Spectrum DetailBack Directory
[Spectrum Detail]

PD 123319 ditrifluoroacetate(130663-39-7)1HNMR
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