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AP-238

CAT: 0013-GTR19241813-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241813-03Size:100 mg
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Description
AP-238 is a synthetic μ-opioid receptor (MOR) agonist with an EC50 of 248 nM, demonstrating analgesic effects. It is utilized in pharmacological research to study opioid receptor function and analgesia mechanisms in both in vitro binding assays and in vivo preclinical models.
CAS Number
140924-11-4
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
C (/C=C/C1=CC=CC=C1) N2C[C@H] (C) N (C (CC) =O) [C@H] (C) C2
Molecular Formula
C18H26N2O
Molecular Weight
286.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N26Wml8AR7
CAS Number140924-11-4
PubChem CID124389619
IUPAC Name1-[(2S,6R)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
Molecular FormulaC18H26N2O
Molecular Weight286.4
XLogP3
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity348
SMILES
CCC(=O)N1[C@@H](CN(C[C@@H]1C)C/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C18H26N2O/c1-4-18(21)20-15(2)13-19(14-16(20)3)12-8-11-17-9-6-5-7-10-17/h5-11,15-16H,4,12-14H2,1-3H3/b11-8+/t15-,16+
InChIKey
JELNWDOXWGBBLO-QJBCGIKSSA-N
Chemical Structure
2D Structure
2D structure of N26Wml8AR7
CAS: 140924-11-4
CID: 124389619
Formula: C18H26N2O
MW: 286.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass286.204513457
Monoisotopic Mass286.204513457
Topological Polar Surface Area23.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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