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PD 123319

CAT: 0013-GTR19153656-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153656-02Size:250 mg
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Description
PD 123319 is a potent, selective AT2 angiotensin II receptor antagonist with IC50 of 34 nM.
CAS Number
136676-91-0
Smiles
OC ([C@@H]1CC (N2CC3=CC=C (N (C) C) C (C) =C3) =C (N=C2) CN1C (C (C4=CC=CC=C4) C5=CC=CC=C5) =O) =O
Molecular Formula
C31H32N4O3
Molecular Weight
508.61
Notes
For research use only.

Chemical Information

PD 123319 ditrifluoroacetate
CAS Number136676-91-0
PubChem CID6604951
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;bis(2,2,2-trifluoroacetic acid)
Molecular FormulaC35H34F6N4O7
Molecular Weight736.7
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity874
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.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C31H32N4O3.2C2HF3O2/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;2*3-2(4,5)1(6)7/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38);2*(H,6,7)/t28-;;/m0../s1
InChIKey
GPKQIEZLHVGJQH-ZXVJYWQYSA-N
Chemical Structure
2D Structure
2D structure of PD 123319 ditrifluoroacetate
CAS: 136676-91-0
CID: 6604951
Formula: C35H34F6N4O7
MW: 736.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight736.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass736.23316841
Monoisotopic Mass736.23316841
Topological Polar Surface Area153 Ų
Heavy Atom Count52
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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