ChemSpider 2D Image | ML-289 | C22H23NO3

ML-289

  • Molecular FormulaC22H23NO3
  • Average mass349.423 Da
  • Monoisotopic mass349.167786 Da
  • ChemSpider ID28649851

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(3R)-3-(Hydroxymethyl)-1-piperidinyl]{4-[(4-methoxyphenyl)ethinyl]phenyl}methanon [German] [ACD/IUPAC Name]
[(3R)-3-(Hydroxymethyl)-1-piperidinyl]{4-[(4-methoxyphenyl)ethynyl]phenyl}methanone [ACD/IUPAC Name]
[(3R)-3-(Hydroxyméthyl)-1-pipéridinyl]{4-[(4-méthoxyphényl)éthynyl]phényl}méthanone [French] [ACD/IUPAC Name]
1382481-79-9 [RN]
Methanone, [(3R)-3-(hydroxymethyl)-1-piperidinyl][4-[2-(4-methoxyphenyl)ethynyl]phenyl]- [ACD/Index Name]
ML-289
VU0463597
(R)-(3-(hydroxymethyl)piperidin-1-yl)(4-((4-methoxyphenyl)ethynyl)phenyl)methanone
(R)-VU0463597
(R)-VU0463597|ML289
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4976
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0414
      Glutamate (Metabotropic) Group II Receptors Tocris Bioscience 4976
      Glutamate (Metabotropic) Receptors Tocris Bioscience 4976
      Receptors & Transporters/G protein coupled receptors/Metabotropic glutamate/Group II (mGlu<sub>3</sub>, mGlu<sub>2</sub>) Hello Bio HB0414
      Selective mGlu<sub>3</sub> negative allosteric modulator Hello Bio HB0414
      Selective mGlu<sub>3</sub> receptor negative allosteric modulator (IC<sub>50</sub> = 0.66 &micro;M). Displays 15-fold selectivity over mGlu<sub>2</sub> receptor and is inactive against mGlu<sub>5</sub> receptor. Blood-brain barrier permeable. Hello Bio HB0414
      Selective negative allosteric modulator at mGlu3 receptors (IC50 = 660 nM). Exhibits 15-fold selectivity for mGlu3 over mGlu2. Centrally penetrant. Tocris Bioscience 4976
      Selective negative allosteric modulator of mGlu3 Tocris Bioscience 4976

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 557.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.7±25.9 °C
Index of Refraction: 1.628
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.75
ACD/KOC (pH 5.5): 1101.41
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.75
ACD/KOC (pH 7.4): 1101.41
Polar Surface Area: 50 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 284.6±5.0 cm3

Click to predict properties on the Chemicalize site


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