PD123319

CAT: 0607-B2206-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-B2206-50Size:50 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 Number	130663-39-7
PubChem CID	5311345
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 Formula	C31H32N4O3
Molecular Weight	508.6
XLogP	4.4
Topological Polar Surface Area	78.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	38
Formal Charge	0
Complexity	791

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

CAS: 130663-39-7

CID: 5311345

Formula: C31H32N4O3

MW: 508.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	508.6
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	508.24744090
Monoisotopic Mass	508.24744090
Topological Polar Surface Area	78.7 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	791
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
C12439-25mg	PD123319
SD0006-25mg	PD123319 (RAAS inhibitor)

PD123319

Chemical Information

Alternative Products

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