Milameline hydrochloride - ≥99%(HPLC) , CAS No.139886-04-7

CAS: 139886-04-7 Cat. No.: M288672 Molecular Weight: 190.67

GRADE & PURITY ≥99%(HPLC)

Synonyms

RU 35926 | 1,2,5,6-Tetrahydro-1-methylnicotinaldehyde (E)-O-methyloxime monohydrochloride | MILAMELINE HYDROCHLORIDE | J-007328 | Milameline HCl | Milameline hydrochloride (USAN) | PD 129409 | W867E71LPD | Miramelin | CI 979; Milameline hydrochloride; PD

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

RU 35926 | 1, 2, 5, 6-Tetrahydro-1-methylnicotinaldehyde (E)-O-methyloxime monohydrochloride | MILAMELINE HYDROCHLORIDE | J-007328 | Milameline HCl | Milameline hydrochloride (USAN) | PD 129409 | W867E71LPD | Miramelin | CI 979; Milameline hydrochloride; PD

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Muscarinic receptor agonist that displays roughly equal affinity at all receptor subtypes (Kivalues are 2.3, 2.4, 3.6, 3.8 and 4.3μM for hM1, hM2, hM3, hM4and hM5receptors respectively). Cognitive enhancer; reverses spatial memory deficits in rats.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: CN1CCC=C(C1)C=NOC.Cl
• IUPAC Name: (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;hydrochloride
• InChIKey: WEBMRZODPLSRKR-MLBSPLJJSA-N
• INCHI: 1S/C8H14N2O.ClH/c1-10-5-3-4-8(7-10)6-9-11-2;/h4,6H,3,5,7H2,1-2H3;1H/b9-6+
• Isomeric SMILES: CN1CCC=C(C1)/C=N/OC.Cl
• Alternate CAS: 139886-04-7
• Molecular Weight: 190.67
• Reaxy-Rn: 14843631
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14843631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydropyridines
• Alternative Parents: Trialkylamines Oxime ethers Azacyclic compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hydropyridine - Tertiary aliphatic amine - Tertiary amine - Oxime ether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
• 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 19.07, Max Conc. mM: 100
• Molecular Weight: 190.670 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.087 Da
• Monoisotopic Mass: 190.087 Da
• Topological Polar Surface Area: 24.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 175.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3