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Aticaprant

CAT: 1568-C03254-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C03254-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1174130-61-0
Synonyms
CERC-501, LY-2456302
Target
Opioid Receptor
Applications
Neuronal Signaling
Molecular Formula
C26H27FN2O2
Additionnal Information
Aticaprant (CERC-501, LY-2456302) is a potent, orally bioavailable, centrally-penetrant antagonist of the kappa opioid receptor with a Ki of 0.807 nM. It exhibits an antidepressant effect with the potential to treat major depressive disorder (MDD) .

Chemical Information

4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide

Aticaprant has been used in trials studying the health services research and basic science of Anxiety Disorders and Alcohol Dependence.

CAS Number1174130-61-0
PubChem CID44129648
IUPAC Name4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
Molecular FormulaC26H27FN2O2
Molecular Weight418.5
XLogP5
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity584
SMILES
CC1=CC(=CC(=C1)[C@@H]2CCCN2CC3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)N)F)C
InChI
InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1
InChIKey
ZHPMYDSXGRRERG-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide
CAS: 1174130-61-0
CID: 44129648
Formula: C26H27FN2O2
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass418.20565627
Monoisotopic Mass418.20565627
Topological Polar Surface Area55.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3844117-01Aticaprant
A19664-5Aticaprant 5mg
A19664-25Aticaprant 25mg
A19664-10Aticaprant 10mg
A19664-1Aticaprant 1mg
A19664-100Aticaprant 100mg
A19664-50Aticaprant 50mg
A19664-2Aticaprant 2mg
A19664-10mM-DAticaprant 10mM * 1mL in DMSO

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