Dimemorfan phosphate - ≥98% , CAS No.36304-84-4

CAS: 36304-84-4 Cat. No.: D413262 Formule: C₁₈H₂₈NO₄P Poids moléculaire: 353.4 PubChem CID: 198165

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504757803
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757803
• Sourires canoniques: 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
• Isomères SMILES: CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1.OP(=O)(O)O
• PubChem CID: 198165
• Poids moléculaire: 353.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: 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
• Description: 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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro Water: 30 mg/mL (84.89 mM); DMSO: Insoluble; Ethanol: -1 mg/mL
• Poids moléculaire: 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