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ChemSpider 2D Image | A-366 | C19H27N3O2

A-366

  • Molecular FormulaC19H27N3O2
  • Average mass329.437 Da
  • Monoisotopic mass329.210327 Da
  • ChemSpider ID31131786

More details:

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

1527503-11-2 [RN]
5'-methoxy-6'-[3-(1-pyrrolidinyl)propoxy]-spiro[cyclobutane-1,3'-[3H]indol]-2'-amine
5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amin [German] [ACD/IUPAC Name]
5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine [ACD/IUPAC Name]
5'-Méthoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine [French] [ACD/IUPAC Name]
5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]-1',2'-dihydrospiro[cyclobutane-1,3'-indol]-2'-imine
5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]-1'H-spiro[cyclobutane-1,3'-indol]-2'-imine
A-366
MFCD28133403
Spiro[cyclobutane-1,3'-[3H]indol]-2'-amine, 5'-methoxy-6'-[3-(1-pyrrolidinyl)propoxy]- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A-336 [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the A 366 probe summary on the SGC website. Tocris Bioscience 5163

    • Bio Activity:

      A-366 is a peptide-competitive inhibitor of G9a/GLP with an enzymatic IC50 of ~3 nM and MedChem Express http://www.medchemexpress.com/ZM39923-hydrochloride.html
      A-366 is a peptide-competitive inhibitor of G9a/GLP with an enzymatic IC50 of ~3 nM and >100-fold selectivity over other methyltransferases and other non-epigenetic targets. MedChem Express HY-12583
      A-366 is a peptide-competitive inhibitor of G9a/GLP with an enzymatic IC50 of ~3 nM and >100-fold selectivity over other methyltransferases and other non-epigenetic targets. ;IC50 value: 3 nM;Target: HMTase;In vitro: A-366 is a cell-active G9a/GLP small molecule inhibitor. The potency and selectivity of A-366 made it an ideal candidate to probe the cellular activities of G9a/GLP. A-366 reduced the total levels of H3K9me2 in a time and concentration dependent manner with a cellular EC50 of ~300 nM. A-366 has significantly less cytotoxic effects on the growth of tumor cell lines compared to other known G9a/GLP small molecule inhibitors despite equivalent cellular activity on methylation of H3K9me2. Additionally, the selectivity profile of A-366 has aided in the discovery of a potentially important role for G9a/GLP in maintenance of leukemia. Long term treatment of leukemia cell lines with A-366 results in differentiation and inhibition of growth;In vivo: Mice treated with A-366 admi MedChem Express HY-12583
      Cell Cycle/DNA Damage MedChem Express HY-12583
      Cell Cycle/DNA Damage; MedChem Express HY-12583
      Enzymes Tocris Bioscience 5163
      HMTase MedChem Express HY-12583
      Lysine Methyltransferases Tocris Bioscience 5163
      Potent and selective G9a/GLP histone lysine methyltransferase inhibitor (IC50 = 3.3 nM). Exhibits >1000-fold selectivity for G9a/GLP over 21 other methyltransferases. Decreases levels of lysine 9 dime thylation on histone H3 (H3K9Me2) in PC3 cells. Tocris Bioscience 5163
      Potent and selective G9a/GLP histone lysine methyltransferase inhibitor (IC50 = 3.3 nM). Exhibits >1000-fold selectivity for G9a/GLP over 21 other methyltransferases. Decreases levels of lysine 9 dimethylation on histone H3 (H3K9Me2) in PC3 cells. Tocris Bioscience 5163
      Potent and selective G9a/GLP inhibitor Tocris Bioscience 5163
      Transferases Tocris Bioscience 5163

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.5±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 254.1±7.0 cm3

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