Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H25Cl2N3O3 |
Molecular Weight | 414.326 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)N1CCN([C@H](CN2CCCC2)C1)C(=O)CC3=CC=C(Cl)C(Cl)=C3
InChI
InChIKey=HJUAKZYKCANOOZ-OAHLLOKOSA-N
InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3/t15-/m1/s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/24844744
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24844744
GR 89696 is a potent and selective kappa-OR agonist. The (-)-isomer, GR103545, is the active enantiomer of GR89696. In a first-in-human Positron Emission Tomography study, [11C]GR103545 was shown to be a promising agent, which can be used to image and quantify kappa-OR in humans with brain disorders. The ( )-isomer of GR 89696 is inactive.
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P41145 Gene ID: 4986.0 Gene Symbol: OPRK1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1657267 |
0.02 nM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Diagnostic | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24844744
The active form of GR 89696, [11C]GR103545, was administered intravenously over 1 min by an automatic pump. The injected mass limit was 0.02 ug/kg body weight.
Route of Administration:
Intravenous
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860VEX6583
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6603856
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126766-42-5
Created by
admin on Sat Dec 16 10:45:00 GMT 2023 , Edited by admin on Sat Dec 16 10:45:00 GMT 2023
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SUBSTANCE RECORD