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PD123319

CAT: 0607-B2206-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B2206-25Size:25 mg
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Description
Angiotensin AT2 receptor antagonist
CAS Number
130663-39-7
Product Name Alternative
(6S)-1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
Field of Research
GPCR G protein Angiotensin Receptor
Purity
0.9818
Form
A colorless oil
Solubility
≥22.4 mg/mL in DMSO; ≥104.2 mg/mL in H2O; ≥140 mg/mL in EtOH
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
Molecular Formula
C31H32N4O3
Molecular Weight
508.61
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(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

PD123319 is 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. It has a role as a vasoconstrictor agent, an endothelin receptor antagonist and an angiotensin receptor antagonist.

CAS Number130663-39-7
PubChem CID5311345
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
Molecular FormulaC31H32N4O3
Molecular Weight508.6
XLogP4.4
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity791
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
InChI
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
InChIKey
YSTVFDAKLDMYCR-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of (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
CAS: 130663-39-7
CID: 5311345
Formula: C31H32N4O3
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass508.24744090
Monoisotopic Mass508.24744090
Topological Polar Surface Area78.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity791
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C12439-25mgPD123319
SD0006-25mgPD123319 (RAAS inhibitor)

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