Dimemorfan phosphate - 10mM in Water , CAS No.36304-84-4

CAS: 36304-84-4 Cat. No.: D423628 Peso molecular: 353.4 PubChem CID: 198165

GRADE & PURITY 10mM in Water

Synonyms

STR03499 | dimemorfan phosphate | NCGC00182065-02 | 3,17-Dimethyl-9-alpha,13-alpha,14-alpha-morphinan phosphate | EINECS 252-958-6 | (9-alpha,13-alpha,14-alpha)-3,17-Dimethylmorphinan phosphate | N-Acetyl-N-[2-(diacetylamino)ethyl]acetamide # | EU-0009923

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Dimemorfan phosphate Dimemorfan (3,17-dimethylmorphinan) is a nonnarcotic antitussive drug, acting as a potent agonist of the σ1 receptor (Ki = 151 nM).

Targets

σ1 receptor (on rat brain membranes) 150 nM(Ki)

In vitro

Dimemorfan has a relative high affinity at sigma-1 (σ1) receptors (Ki=151 nM) vs sigma-2 receptors (Ki=4421 nM) as determined by receptor binding assay on rat brain membranes.

In vivo

Dimemorfan acts as a α1 receptor agonist to exhibit anti-amnesic effects against scopolamine- and β-amyloid peptide-(25-35)-induced memory impairments.

Specifications

Sinónimos

STR03499 | dimemorfan phosphate | NCGC00182065-02 | 3, 17-Dimethyl-9-alpha, 13-alpha, 14-alpha-morphinan phosphate | EINECS 252-958-6 | (9-alpha, 13-alpha, 14-alpha)-3, 17-Dimethylmorphinan phosphate | N-Acetyl-N-[2-(diacetylamino)ethyl]acetamide # | EU-0009923

Especificaciones y pureza

10mM in Water

Mecanismos bioquímicos y fisiológicos

Dimemorfan (3, 17-dimethylmorphinan) is a nonnarcotic antitussive drug, acting as a potent agonist of the σ1 receptor (Ki = 151 nM).

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC1=CC2=C(CC3C4C2(CCCC4)CCN3C)C=C1.OP(=O)(O)O
• IUPAC Name: (1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
• InChIKey: ODJHDWLIOUGPPA-URVXVIKDSA-N
• INCHI: 1S/C18H25N.H3O4P/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2;1-5(2,3)4/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3;(H3,1,2,3,4)/t15-,17+,18+;/m1./s1
• Isómeros SMILES: CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1.OP(=O)(O)O
• PubChem CID: 198165
• Peso molecular: 353.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Morphinans

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Morphinans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Morphinans
• Alternative Parents: Phenanthrenes and derivatives Benzazocines Tetralins Aralkylamines Piperidines Organic phosphoric acids and derivatives Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Morphinan - Phenanthrene - Benzazocine - Tetralin - Aralkylamine - Organic phosphoric acid derivative - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
• External Descriptors: Not available

Data sources

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 353.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 353.176 Da
• Monoisotopic Mass: 353.176 Da
• Topological Polar Surface Area: 81.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 401.000
• 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: 2

XLogP3