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Samidorphan (hydrochloride)

CAT: 0804-HY-123689A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123689A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Samidorphan hydrochloride is an orally active opioid system modulator that has a high affinity for binding with μ‐opioid, κ‐opioid, and δ‐opioid receptors. Samidorphan hydrochloride acts as an antagonist at μ‐opioid receptors and acts as a partial agonist at k-opioid and δ‐opioid receptors. Samidorphan hydrochloride primarily acts as an opioid receptor antagonist in vivo. Samidorphan can improve the behavior of depressed animals[1].
CAS Number
2328045-02-7
Product Name Alternative
ALKS-33 (hydrochloride) ; RDC-0313 (hydrochloride)
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/samidorphan-hydrochloride.html
Smiles
O[C@@]12[C@]3(CC(CC2)=O)C4=C(O)C(C(N)=O)=CC=C4C[C@@]1([H])N(CC3)CC5CC5.Cl
Molecular Formula
C21H27ClN2O4
Molecular Weight
406.90
References & Citations
[1]McElroy SL, et al. A placebo-controlled pilot study of the novel opioid receptor antagonist ALKS-33 in binge eating disorder. Int J Eat Disord. 2013 Apr;46 (3) :239-45.|[2]Mark S. Todtenkopf, et al. Buprenorphine in Combination with Samidorphan (ALKS 33) Results in Antidepressive-Like Effects in Two Distinct Rat Models. Eur Neuropsychopharmacol. 2014;24aSuppl 2) :S366.|[3]Rehan ST, et al. Samidorphan/olanzapine combination therapy for schizophrenia: Efficacy, tolerance and adverse outcomes of regimen, evidence-based review of clinical trials. Ann Med Surg (Lond) . 2022 Jun 30;79:104115.|[4]Shravni V, et al. Comparative Effects of Buprenorphine and Samidorphan on Locomotor Behavior in vivo. Scientific Research Journal of Pharmacy 2021, Volume 1, Issue: 1 (June-July) .|[5]Smith KL, et al. Opioid system modulators buprenorphine and samidorphan alter behavior and extracellular neurotransmitter concentrations in the Wistar Kyoto rat. Neuropharmacology. 2019 Mar 1;146:316-326.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Samidorphan HCl

See also: Olanzapine (annotation moved to); Olanzapine Pamoate (annotation moved to); Symbyax (annotation moved to) ... View More ...

CAS Number2328045-02-7
PubChem CID44592018
IUPAC Name(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;hydrochloride
Molecular FormulaC21H27ClN2O4
Molecular Weight406.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity665
SMILES
C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O.Cl
InChI
InChI=1S/C21H26N2O4.ClH/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26);1H/t16-,20-,21-;/m1./s1
InChIKey
LRMKVAABEFFIDK-GPCMIKKWSA-N
Chemical Structure
2D Structure
2D structure of Samidorphan HCl
CAS: 2328045-02-7
CID: 44592018
Formula: C21H27ClN2O4
MW: 406.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass406.1659350
Monoisotopic Mass406.1659350
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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