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GR103545

CAT: 0804-HY-145128-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145128-03Size:5 mg
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Description
GR103545 is a potent and selective agonist of the κ-opioid receptor (κ-OR) . 11GR103545 is a radiotracer for imaging κ-OR in vivo[1][2].
CAS Number
126766-43-6
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/gr103545.html
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC(/C=C/C(O)=O)=O.ClC(C=C1CC(N2[C@@H](CN(CC2)C(OC)=O)CN3CCCC3)=O)=C(C=C1)Cl
Molecular Formula
C23H29Cl2N3O7
Molecular Weight
530.40
References & Citations
[1]Hayes AG, et, al. A series of novel, highly potent and selective agonists for the kappa-opioid receptor. Br J Pharmacol. 1990 Dec;101 (4) :944-8. |[2]Talbot PS, et, al. 11C-GR103545, a radiotracer for imaging kappa-opioid receptors in vivo with PET: synthesis and evaluation in baboons. J Nucl Med. 2005 Mar;46 (3) :484-94.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
κ Opioid Receptor/KOR

Chemical Information

(R)-Methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate fumarate
CAS Number126766-43-6
PubChem CID9893214
IUPAC Name(E)-but-2-enedioic acid;methyl (3R)-4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Molecular FormulaC23H29Cl2N3O7
Molecular Weight530.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity649
SMILES
COC(=O)N1CCN([C@@H](C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C19H25Cl2N3O3.C4H4O4/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;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-;/m1./s1
InChIKey
ABTNETSDXZBJTE-WMQZXYHMSA-N
Chemical Structure
2D Structure
2D structure of (R)-Methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate fumarate
CAS: 126766-43-6
CID: 9893214
Formula: C23H29Cl2N3O7
MW: 530.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass529.1382557
Monoisotopic Mass529.1382557
Topological Polar Surface Area128 Ų
Heavy Atom Count35
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
MBS5786345GR103545

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