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samidorphan , CAS No.852626-89-2, Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptor

COA

Grade & Purity:

Moligand™

Cas Number: 852626-89-2
PubChem CID: 11667832

In stock

Item Number

S613401

Grouped product items
SKU	Size	Availability	Price	Qty
S613401-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S613401-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

Class A GPCR (4138) δ receptor Antagonist (20) κ receptor Antagonist (19) μ receptor Antagonist (24)

Basic Description

Synonyms	DTXSID401030402 \| BDBM50165049 \| RDC-0313 \| 17-(Cyclopropylmethyl)-4,14-dihydroxy-6-oxomorphinan-3-carboxamide \| 7W2581Z5L8 \| ALKS 33 \| Aluminum sulfate hydrate, >=98.0% \| RDC 0313 \| Lybalvi (olanzapine + samidorphan) \| Morphinan-3-carboxamide, 17-(cyclop
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Naphthalenecarboxamides Benzazocines Isoquinolones and derivatives Tetralins Salicylic acid and derivatives 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Piperidines Vinylogous acids Tertiary alcohols Trialkylamines Cyclic ketones Cyclic alcohols and derivatives 1,2-aminoalcohols Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenanthrene - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Benzazocine - Isoquinolone - Salicylic acid or derivatives - Tetralin - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Piperidine - Cyclic alcohol - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Ketone - Primary carboxylic acid amide - Cyclic ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

OPRD1 Tclin Delta-type opioid receptor (1 Activities)

Discover Target: OPRD1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OPRK1 Tclin Kappa-type opioid receptor (1 Activities)

Discover Target: OPRK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OPRM1 Tclin Mu-type opioid receptor (1 Activities)

Discover Target: OPRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

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
INCHI	InChI=1S/C21H26N2O4/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)/t16-,20-,21-/m1/s1
InChIKey	RYIDHLJADOKWFM-MAODMQOUSA-N
Smiles	O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O
Isomeric SMILES	C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O
PubChem CID	11667832

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	370.400 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	370.189 Da
Monoisotopic Mass	370.189 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	665.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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