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RG 13647

CAT: 0804-HY-120238Size: 1 EachDry Ice: NoHazardous: No
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Description
RG 13647 is an AT2-selective ligand. RG 13647 is an analog of PD 123177. RG 13647 shows weak activity in competing for [125I]angiotensin II binding with an IC50 value of 100 μM. RG 13647 can be used for research of cardiovascular disease[1].
CAS Number
145543-03-9
UNSPSC
12352005
Target
Angiotensin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/rg-13647.html
Smiles
O=C(O)C1CC2=C(CN1C(C(C3=CC=CC=C3)C4=CC=CC=C4)=O)N=CN2CC5OC6=CC=CC=C6OC5
Molecular Formula
C30H27N3O5
Molecular Weight
509.55
References & Citations
[1]Jarvis MF, et al. The angiotensin hexapeptide 3-8 fragment potently inhibits [125I]angiotensin II binding to non-AT1 or -AT2 recognition sites in bovine adrenal cortex. Eur J Pharmacol. 1992 Aug 25;219 (2) :319-22.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

RG 13647

analog of PD 123177; angiotensin receptor antagonist

CAS Number145543-03-9
PubChem CID132729
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
Molecular FormulaC30H27N3O5
Molecular Weight509.6
XLogP3.7
Topological Polar Surface Area93.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity811
SMILES
C1C(N(CC2=C1N(C=N2)CC3COC4=CC=CC=C4O3)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O
InChI
InChI=1S/C30H27N3O5/c34-29(28(20-9-3-1-4-10-20)21-11-5-2-6-12-21)33-17-23-24(15-25(33)30(35)36)32(19-31-23)16-22-18-37-26-13-7-8-14-27(26)38-22/h1-14,19,22,25,28H,15-18H2,(H,35,36)
InChIKey
ICFNCUVQGPNFBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RG 13647
CAS: 145543-03-9
CID: 132729
Formula: C30H27N3O5
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass509.19507097
Monoisotopic Mass509.19507097
Topological Polar Surface Area93.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity811
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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